SCHEMBL169020

SCHEMBL169020

O=CC(Br)c1cccc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.43
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
AOC3 Q16853 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
CHRM5 P08912 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
PARP1 P09874 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34

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
SCHEMBL8058289 0.80 TAAR1 (0.46)
SCHEMBL9729576 0.79 ACP3 (0.46) ACP3MEN1KMT2AAOC3ALDH1A1
SCHEMBL15331162 0.79 ACP3 (0.46) ACP3MEN1KMT2AAOC3ALDH1A1
SCHEMBL21724409 0.79 TSHR (0.38) TSHR
SCHEMBL540882 0.78 ALDH1A1 (0.47) ALDH1A1PARP1MGAMGAASI
SCHEMBL4598932 0.78 ACP3 (0.44) ACP3MEN1KMT2AAOC3ALDH1A1
SCHEMBL21495049 0.78 ALDH1A1 (0.47) ALDH1A1PARP1MGAMGAASI
SCHEMBL17061793 0.76 ACP3 (0.46) ACP3MEN1KMT2AAOC3ALDH1A1
SCHEMBL384041 0.76 ACP3 (0.46) ACP3MEN1KMT2AAOC3ALDH1A1
SCHEMBL167914 0.76 HDAC4 (0.44) AOC3CHRM5CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012164572-A1 SUBSTITUTED 4-ARYLTHIAZOLES AND PROCESS OF PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-12-06 WO claimed
WO-2021127301-A1 4-PHENYL-N-(PHENYL)THIAZOL-2-AMINE DERIVATIVES AND RELATED COMPOUNDS AS ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS FOR THE TREATMENT OF E.G. ANGIOGENESIS IMPLICATED OR INFLAMMATORY DISORDERS Ikena Oncology, Inc. (US) 2021-06-24 WO disclosed
EP-3619209-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS Glenmark Pharmaceuticals S.A. (CH) 2020-03-11 EP disclosed
WO-2019201867-A1 SUBSTITUTED PROPANAMIDES AS INHIBITORS OF NUCLEASES MASARYKOVA UNIVERZITA (CZ) 2019-10-24 WO disclosed
WO-2018203298-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2018-11-08 WO disclosed
EP-3322705-A1 2-AMINO-1,3,4-THIADIAZINE AND 2-AMINO-1,3,4-OXADIAZINE BASED ANTIFUNGAL AGENTS F2G Limited (GB) 2018-05-23 EP disclosed
EP-3237385-A1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER The United States of America, as represented by The Secretary, Department of Health and Human Services (US) 2017-11-01 EP disclosed
EP-3215505-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE Bayer Pharma Aktiengesellschaft (DE) 2017-09-13 EP disclosed
WO-2017009651-A1 2-AMINO-1,3,4-THIADIAZINE AND 2-AMINO-1,3,4-OXADIAZINE BASED ANTIFUNGAL AGENTS F2G LIMITED (GB) 2017-01-19 WO disclosed
EP-3107913-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE (NO.5) LIMITED (GB) 2016-12-28 EP disclosed
WO-2008140947-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2008-11-20 WO disclosed
EP-1928237-A2 NOVEL IMIDAZO BASED HETEROCYCLES Abbott Laboratories (US) 2008-06-11 EP disclosed
EP-1888063-A1 ANTIFUNGAL AGENTS F2G Ltd. (GB) 2008-02-20 EP disclosed
WO-2007028051-A2 NOVEL IMIDAZO BASED HETEROCYCLES ABBOTT LABORATORIES (US) 2007-03-08 WO disclosed
WO-2006123145-A1 ANTIFUNGAL AGENTS F2G LTD (GB) 2006-11-23 WO disclosed
WO-2001087845-A2 N-CONTAINING HETEROCYCLIC COMPOUNDS AND THEIR USE AS 5-HT ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-22 WO disclosed
WO-2001060781-A2 DIPHENYL COMPOUNDS, FORMULATIONS AND USES THEREOF UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2001-08-23 WO disclosed
CN-1064966-C Condesned thiazole derivatives, having 5-HT receptor affinity KNOLL AG (DE) 2001-04-25 CN disclosed
CN-1189834-A Condesned thiazole derivatives, having 5-HT receptor affinity KNOLL AG (DE) 1998-08-05 CN disclosed
EP-0379928-A2 Aryl- and heteroarylethanol-pyridylalkylamines, process for their preparation and their use as performance stimulators by animals and as anti-adipositas agent BAYER AG (DE) 1990-08-01 EP disclosed