SCHEMBL3071035

SCHEMBL3071035

c1ccc2c3c(ccc2c1)NCCN3

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.44
TSHR P16473 3/20 0.44
CYP2A6 P11509 3/20 0.44
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
HPRT1 P00492 1/20 0.41
NISCH Q9Y2I1 5/20 0.41
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HIF1A Q16665 1/20 0.38
CYP1B1 Q16678 1/20 0.38
CYP3A4 P08684 1/20 0.35
CYP1A2 P05177 2/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27701692 0.90 HPRT1 (0.52) HSD17B10TSHRCYP2A6ALDH1A1TDP1
Indoline SCHEMBL27647145 0.87 DRD2 (0.38) HSD17B10TSHRCYP2A6ALDH1A1TDP1
SCHEMBL31510223 0.86 HSD17B10 (0.39) HSD17B10TSHRCYP2A6ALDH1A1TDP1
SCHEMBL28723269 0.86 HSD17B10 (0.39) HSD17B10TSHRCYP2A6ALDH1A1TDP1
SCHEMBL15291748 0.83 ALDH1A1 (0.44) HSD17B10TSHRCYP2A6ALDH1A1TDP1
SCHEMBL31712942 0.83 ALDH1A1 (0.44) HSD17B10TSHRCYP2A6ALDH1A1TDP1
SCHEMBL31668742 0.73 HSD17B10 (0.42) HSD17B10TSHRCYP2A6ALDH1A1TDP1
SCHEMBL634543 0.73 HSD17B10 (0.42) HSD17B10TSHRCYP2A6ALDH1A1TDP1
SCHEMBL582334 0.73 NOTUM (0.46) HSD17B10TSHRCYP2A6ALDH1A1TDP1
SCHEMBL4982973 0.73 ALDH1A1 (0.52) HSD17B10TSHRCYP2A6ALDH1A1TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250338712-A1 LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE, AND THE ORGANOMETALLIC COMPOUND SAMSUNG DISPLAY CO LTD (KR) 2025-10-30 US claimed
CN-105848865-A Method of forming a photochromic segmented multifocal lens 光学转变公司 2016-08-10 CN claimed
EP-2529216-A1 KIT FOR DETECTING FUNCTIONAL CARBOXYL GROUPINGS Université d'Aix Marseille (FR) 2012-12-05 EP claimed
WO-2010010242-A2 KIT FOR DETECTING CARBOXYLIC, THIOL AND AMINE FUNCTIONAL GROUPS UNIVERSITE DE PROVENCE AIX MARSEILLE 1 (FR) 2010-01-28 WO claimed
US-20250338712-A1 LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE, AND THE ORGANOMETALLIC COMPOUND SAMSUNG DISPLAY CO LTD (KR) 2025-10-30 US disclosed
EP-2220176-B1 SOL-GEL COATING COMPOSITIONS AND THEIR PROCESS OF PREPARATION DUBLIN INSTITUTE OF TECH INTELLECTUAL PROPERTY LTD (IE) 2018-09-19 EP disclosed
CN-106279204-A Graphene oxide that a kind of spiral shell piperazine photochromic group is modified and preparation method thereof 陕西国防工业职业技术学院 2017-01-04 CN disclosed
CN-106232734-A IR dyestuff and the laser marking goods comprising this IR dyestuff 爱克发-格法特公司 2016-12-14 CN disclosed
CN-106190176-A Light orientation aligning agent for liquid crystal, liquid crystal orientation film and use its liquid crystal display cells and lateral electric-field type liquid crystal display cells 捷恩智株式会社 2016-12-07 CN disclosed
CN-105969405-A Liquid crystal aligning agent for forming liquid crystal alignment film, liquid crystal alignment film and liquid crystal display device using the same 捷恩智株式会社 2016-09-28 CN disclosed
CN-105934458-A Polymerizable composition for optical material, optical material obtained from the composition, and plastic lens 三井化学株式会社 2016-09-07 CN disclosed
CN-105848864-A Method of coating a lens and lens support 光学转变公司 2016-08-10 CN disclosed
WO-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060192-A1 NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
CN-1078208-C Pyrrolyl tetrahydrobenzoquinoxaline diones, their preparation and use as glutamate receptor antagonists BASF AG (DE) 2002-01-23 CN disclosed
CN-1078208-C Pyrrolyl tetrahydrobenzoquinoxaline diones, their preparation and use as glutamate receptor antagonists BASF AG (DE) 2002-01-23 CN disclosed
CN-1326117-A Thermosensitive compoistion and offset printing board FUJI PHOTO FILM CO LTD (JP) 2001-12-12 CN disclosed
US-5849744-A Pyrrolyl tetrahydrobenzoquinoxaline diones, their preparation and use as glutamate receptor antagonist BASF AKTIENGESELLSCHAFT (DE) 1998-12-15 US disclosed
CN-1160400-A Pyrrolyl tetrahydrobenzoquinoxalinediones, their preparation and their use as glutamate receptor antagonists BASF AG (DE) 1997-09-24 CN disclosed
CN-1160400-A Pyrrolyl tetrahydrobenzoquinoxalinediones, their preparation and their use as glutamate receptor antagonists BASF AG (DE) 1997-09-24 CN disclosed