SCHEMBL6597890

SCHEMBL6597890

COc1ccc2c(c1)c(C(N)=O)nn2Cc1ccc2oc(-c3nc(C(C)(C)C)cs3)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.40
APP P05067 2/20 0.39
KMT2A Q03164 1/20 0.38
MAOA P21397 2/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.35
PLAU P00749 1/20 0.35
PTGER4 P35408 1/20 0.34
PTGES O14684 1/20 0.34
ALOX5 P09917 1/20 0.34
F2RL3 Q96RI0 2/20 0.34
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PLA2G2A P14555 2/20 0.33
PDE5A O76074 1/20 0.33
MCL1 Q07820 1/20 0.33

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
SCHEMBL6601063 0.93 MCL1 (0.40) MAOBAPPKMT2AMAOAPTGDR2
SCHEMBL6601472 0.92 KMT2A (0.40) MAOBAPPKMT2AMAOAPTGDR2
SCHEMBL6599253 0.90 F2RL3 (0.39) F2RL3PLA2G2A
SCHEMBL7533433 0.90 APP (0.35) MAOBAPPKDM4EALDH1A1HPGD
SCHEMBL6599144 0.88 CPT1A (0.39) MAOBPTGER4ALDH1A1
SCHEMBL7469206 0.88 MAOB (0.31) MAOBMAOA
SCHEMBL6598987 0.84 KMT2A (0.33) MAOBAPPKMT2APTGDR2PTGES
SCHEMBL7475913 0.82 KMT2A (0.32) MAOBKMT2AMAOAALDH1A1MAPT
SCHEMBL8659965 0.81 MEN1 (0.40) KMT2APTGER4ALDH1A1
SCHEMBL6600915 0.81 PDE5A (0.34) MAOBKMT2APTGESALOX5F2RL3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1170009-B1 Thiazolybenzofuran derivatives and their use as SRS-A and leukotiene antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2004-04-07 EP disclosed
EP-1170009-A2 Thiazolybenzofuran derivatives and their use as SRS-A and leukotiene antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-09 EP disclosed
US-5994378-A ANTIALLERGENS; ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-11-30 US disclosed
EP-0880519-A1 THIAZOLYLBENZOFURAN DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-02 EP disclosed
WO-1997027190-A1 THIAZOLYLBENZOFURAN DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-31 WO disclosed