SCHEMBL7475913

SCHEMBL7475913

COC(=O)c1nn(Cc2ccc3oc(-c4nc(C(C)(C)C)cs4)cc3c2)c2ccc(C(C)C)cc12

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.32
PTGES2 Q9H7Z7 1/20 0.32
MAOA P21397 3/20 0.31
MAPT P10636 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MCL1 Q07820 1/20 0.31
CA12 O43570 1/20 0.30
CA2 P00918 1/20 0.30
CA3 P07451 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CA5B Q9Y2D0 1/20 0.30
MAOB P27338 2/20 0.30

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
SCHEMBL7469206 0.91 MAOB (0.31) PTGES2MAOAMAOB
SCHEMBL6601472 0.89 KMT2A (0.40) KMT2AMAOAMAPTALDH1A1MCL1
SCHEMBL6601063 0.82 MCL1 (0.40) KMT2AMAOAMAPTALDH1A1MCL1
SCHEMBL6597890 0.82 MAOB (0.40) KMT2AMAOAMAPTALDH1A1MCL1
SCHEMBL7533433 0.81 APP (0.35) ALDH1A1POLBHSD17B10MCL1MAOB
SCHEMBL6600128 0.80 F2RL3 (0.37) MAPTPOLBMCL1
SCHEMBL6603445 0.80 CPT1A (0.38) KMT2AALDH1A1POLBHSD17B10
SCHEMBL8659965 0.80 MEN1 (0.40) KMT2AALDH1A1POLBHSD17B10
SCHEMBL6599144 0.79 CPT1A (0.39) ALDH1A1POLBHSD17B10MAOB
SCHEMBL6599253 0.77 F2RL3 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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