SCHEMBL172188

SCHEMBL172188

Cc1c[n+]([O-])ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.50
TSHR P16473 8/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TDP1 Q9NUW8 4/20 0.42
MAPT P10636 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 4/20 0.40
CYP3A4 P08684 2/20 0.40
RECQL P46063 1/20 0.40
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
NPC1 O15118 1/20 0.38
S1PR4 O95977 1/20 0.38
S1PR1 P21453 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HPGD P15428 1/20 0.37
CYP1A2 P05177 1/20 0.36
GPR35 Q9HC97 2/20 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
SCHEMBL30563095 1.00 HSD17B10 (0.50) HSD17B10TSHRSMN1; SMN2TDP1MAPT
SCHEMBL15804255 0.81 CYP3A4 (0.39) HSD17B10TSHRSMN1; SMN2TDP1MAPT
SCHEMBL3059949 0.80 TSHR (0.47) HSD17B10TSHRTDP1HPGD
SCHEMBL14206337 0.78 HSD17B10 (0.48) HSD17B10TSHRSMN1; SMN2TDP1MAPT
SCHEMBL3341806 0.77 ALDH1A1 (0.40) HSD17B10TSHRSMN1; SMN2TDP1MAPT
SCHEMBL4726250 0.77 MAPT (0.43) HSD17B10SMN1; SMN2TDP1MAPTL3MBTL1
SCHEMBL1815079 0.76 TDP1 (0.47) TSHRSMN1; SMN2TDP1MAPTALDH1A1
SCHEMBL8568031 0.76 TDP1 (0.47) HSD17B10TSHRSMN1; SMN2TDP1MAPT
SCHEMBL741363 0.76 ALDH1A1 (0.36) HSD17B10TDP1MAPTALDH1A1CYP3A4
SCHEMBL10547254 0.76 GPR35 (0.46) HSD17B10TSHRSMN1; SMN2TDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115197046-B Halogenation method of unsaturated hydrocarbon 华南理工大学 2023-12-15 CN claimed
US-7919755-B2 Dendrimer based electro-optic sensor APPLIED RESEARCH AND PHOTONICS, INC. 2011-04-05 US claimed
US-7854505-B2 Passive and active photonic crystal structures and devices THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-12-21 US claimed
US-20090323014-A1 PASSIVE AND ACTIVE PHOTONIC CRYSTAL STRUCTURES AND DEVICES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2009-12-31 US claimed
US-20080128618-A1 Dendrimer Based Electro-Optic Sensor APPLIED RESEARCH AND PHOTONICS, INC. 2008-06-05 US claimed
US-20080099698-A1 Dendrimer Based Terahertz Generator APPLIED RESEARCH AND PHOTONICS, INC. 2008-05-01 US claimed
US-6941051-B2 Method for producing non-linear optical organic crystal film REVEO, INC. (US) 2005-09-06 US claimed
CN-1636164-A Composite nonlinear optical film, manufacturing method and application thereof REVEO INC (US) 2005-07-06 CN claimed
US-20040189971-A1 Wafer edge exposing apparatus SAMSUNG ELECTRONICS CO., LTD. 2004-09-30 US claimed
US-6762844-B2 Optical microscope using an interferometric source of two-color, two-beam entangled photons UT-BATTELLE, LLC 2004-07-13 US claimed
CN-1064937-A INFRARED BAND LASER DETECTING BOARD FOR ORGANIC DOUBLE-FREQUENCY MATERIAL CHEMICAL INST CHINESE ACADEMY (CN) 1992-09-30 CN claimed
US-5084302-A PROCESS FOR PREPARING AN ORGANIC COMPOUND THIN FILM FOR AN OPTICAL DEVICE SHARP KABUSHIKI KAISHA (JP) 1992-01-28 US claimed
EP-0436301-A2 Crystal-polymer matrix composites BTG INTERNATIONAL LIMITED (GB) 1991-07-10 EP claimed
EP-0390540-A2 Process for preparing an organic compound thin film for an optical device SHARP KABUSHIKI KAISHA (JP) 1990-10-03 EP claimed
US-4806579-A Polymer composites THE BRITISH PETROLEUM CO. P.L.C. (GB) 1989-02-21 US claimed
EP-0165225-B1 PROCESS FOR THE PREPARATION OF 5-AZAINDOLE AND INTERMEDIATES SANOFI S.A. (FR) 1988-03-23 EP claimed
EP-0232138-A2 Polymer composites The British Petroleum Company p.l.c. (GB) 1987-08-12 EP claimed
US-4625033-A 3-METHYL-4-NITROPYRIDINE-1-OXIDE CONDENSED TO ENAMINE, CATALYTIC REDUCTION CYCLIZATION SANOFI (FR) 1986-11-25 US claimed
EP-0031281-B1 USE OF 3-METHYL-4-NITROPYRIDINE-1-OXIDE AND 3,5-DIMETHYL-4-NITROPYRIDINE-1-OXIDE CRYSTALS FOR NON LINEAR OPTICS Chemla, Daniel (FR) 1984-07-04 EP claimed
US-4376899-A 3-, 5- OR 3,5-DI METHYL-4-NITRO-PYRIDINE-1-OXIDE CHEMLA DAHIEL (FR) 1983-03-15 US claimed