SCHEMBL355182

SCHEMBL355182

CC(C)OC(=O)Cc1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.57
CYP1A2 P05177 3/20 0.47
ALDH1A1 P00352 2/20 0.47
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
PTPRA P18433 1/20 0.46
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
PGR P06401 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 1/20 0.44
POLB P06746 1/20 0.43
CYP2D6 P10635 1/20 0.43
KDM4E B2RXH2 1/20 0.43
FDPS P14324 1/20 0.42

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
SCHEMBL3783374 0.86 POLB (0.47) TSHRCYP1A2ALDH1A1RAB9ANPC1
SCHEMBL10576911 0.84 KCNA5 (0.49) TSHRCYP1A2ALDH1A1RAB9ANPC1
SCHEMBL10576835 0.83 TSHR (0.54) TSHRCYP1A2ALDH1A1RAB9ANPC1
Methyl Alcohol SCHEMBL3396777 0.82 ALDH1A1 (0.53) TSHRCYP1A2ALDH1A1RAB9ANPC1
SCHEMBL3909811 0.82 CYP1A2 (0.41) TSHRCYP1A2ALDH1A1RAB9ANPC1
SCHEMBL78000 0.81 SMN1; SMN2 (0.53) TSHRCYP1A2ALDH1A1RAB9ANPC1
SCHEMBL29390571 0.81 SMN1; SMN2 (0.53) TSHRCYP1A2ALDH1A1RAB9ANPC1
SCHEMBL29194164 0.81 RAB9A (0.48) TSHRCYP1A2ALDH1A1RAB9ANPC1
SCHEMBL375765 0.80 RAB9A (0.53) TSHRCYP1A2ALDH1A1RAB9ANPC1
SCHEMBL3912124 0.80 ALDH1A1 (0.40) TSHRCYP1A2ALDH1A1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118771987-A Preparation method of 2-nitro-3-methyl-5-chlorobenzoic acid 帕潘纳(北京)科技有限公司 2024-10-15 CN disclosed
CN-117865937-A Chiral 2- (beta-amino) pyridine derivative, preparation method and application thereof 成都大学 2024-04-12 CN disclosed
CN-110922402-B C-3 iodo-indolizine compound and preparation method thereof 贵州省中国科学院天然产物化学重点实验室(贵州医科大学天然产物化学重点实验室) 2020-10-27 CN disclosed
CN-110922402-A C-3 iodo-indolizine compound and preparation method thereof 贵州省中国科学院天然产物化学重点实验室(贵州医科大学天然产物化学重点实验室) 2020-03-27 CN disclosed
US-20150196889-A1 METHODS OF ELECTROSPRAY CHEMICAL SYNTHESIS CANAM BIORESEARCH INC. (CA) 2015-07-16 US disclosed
US-20150196889-A1 METHODS OF ELECTROSPRAY CHEMICAL SYNTHESIS CANAM BIORESEARCH INC. (CA) 2015-07-16 US disclosed
US-20150196889-A1 METHODS OF ELECTROSPRAY CHEMICAL SYNTHESIS CANAM BIORESEARCH INC. (CA) 2015-07-16 US disclosed
US-8926801-B2 Methods of electrospray chemical synthesis and device for use therein CANAM BIORESEARCH INC. (CA) 2015-01-06 US disclosed
US-8926801-B2 Methods of electrospray chemical synthesis and device for use therein CANAM BIORESEARCH INC. (CA) 2015-01-06 US disclosed
US-8926801-B2 Methods of electrospray chemical synthesis and device for use therein CANAM BIORESEARCH INC. (CA) 2015-01-06 US disclosed
US-20120012453-A1 METHODS OF ELECTROSPRAY CHEMICAL SYNTHESIS AND DEVICE FOR USE THEREIN CANAM BIORESEARCH INC. (CA) 2012-01-19 US disclosed
US-20120012453-A1 METHODS OF ELECTROSPRAY CHEMICAL SYNTHESIS AND DEVICE FOR USE THEREIN CANAM BIORESEARCH INC. (CA) 2012-01-19 US disclosed
WO-2010081236-A1 METHODS OF ELECTROSPRAY CHEMICAL SYNTHESIS AND DEVICE FOR USE THEREIN CANAM BIORESEARCH INC. (CA) 2010-07-22 WO disclosed
WO-2010081236-A1 METHODS OF ELECTROSPRAY CHEMICAL SYNTHESIS AND DEVICE FOR USE THEREIN CANAM BIORESEARCH INC. (CA) 2010-07-22 WO disclosed
EP-1867633-A1 Polyamine analogues as therapeutic and diagnostic agents MediQuest Therapeutics, Inc. (US) 2007-12-19 EP disclosed
EP-1085011-A1 Novel polyamine analogues as therapeutic and diagnostic agents ORIDIGM CORPORATION (US) 2001-03-21 EP disclosed
EP-1001927-A2 NOVEL POLYAMINE ANALOGUES AS THERAPEUTIC AND DIAGNOSTIC AGENTS ORIDIGM CORPORATION (US) 2000-05-24 EP disclosed
WO-1999003823-A2 NOVEL POLYAMINE ANALOGUES AS THERAPEUTIC AND DIAGNOSTIC AGENTS ORIDIGM CORPORATION (US) 1999-01-28 WO disclosed
US-4877795-A 4H-quinolizin-4-one compounds useful for the treatment of allergic bronchial asthma, allergic rhinitis atropic dermatitis and the like KISSEI PHARMACEUTICAL CO., LTD. (JP) 1989-10-31 US disclosed
EP-0277755-A1 4H-quinolizin-4-one compounds exhibiting therapeutic activities Kissei Pharmaceutical Co. Ltd. (JP) 1988-08-10 EP disclosed