SCHEMBL6600915

SCHEMBL6600915

COc1ccc2c(c1)c(-c1nnn[nH]1)nn2Cc1ccc2oc(-c3nc(C(C)(C)C)cs3)cc2c1.[Na]

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.34
KMT2A Q03164 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
F2RL3 Q96RI0 2/20 0.31
PTGES O14684 1/20 0.31
ALOX5 P09917 1/20 0.31
MAOB P27338 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 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
SCHEMBL6600027 1.00 PDE5A (0.34) PDE5AKMT2AADRA2AADRA2BADRA2C
SCHEMBL6600909 0.99 PDE5A (0.34) PDE5AKMT2AADRA2AADRA2BADRA2C
SCHEMBL6598987 0.82 KMT2A (0.33) PDE5AKMT2AADRA2AADRA2BADRA2C
SCHEMBL6601063 0.81 MCL1 (0.40) PDE5AKMT2AF2RL3PTGESALOX5
SCHEMBL6597890 0.81 MAOB (0.40) PDE5AKMT2AF2RL3PTGESALOX5
SCHEMBL6601472 0.81 KMT2A (0.40) KMT2AF2RL3PTGESALOX5MAOB
SCHEMBL6600548 0.79 TP53 (0.31)
SCHEMBL6599527 0.76 THRA (0.42) KMT2AKDM4EALDH1A1MAPTHPGD
SCHEMBL6601208 0.75 CCR2 (0.35) KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6597519 0.75

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