SCHEMBL6600909

SCHEMBL6600909

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

nearest known ligand 0.34

Predicted protein targets (top 9)

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 1/20 0.30
PTGES O14684 1/20 0.30
ALOX5 P09917 1/20 0.30
MAOB P27338 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 0.99 PDE5A (0.34) PDE5AKMT2AADRA2AADRA2BADRA2C
SCHEMBL6600915 0.99 PDE5A (0.34) PDE5AKMT2AADRA2AADRA2BADRA2C
SCHEMBL6598987 0.81 KMT2A (0.33) PDE5AKMT2AADRA2AADRA2BADRA2C
SCHEMBL6601063 0.81 MCL1 (0.40) PDE5AKMT2AF2RL3PTGESALOX5
SCHEMBL6597890 0.80 MAOB (0.40) PDE5AKMT2AF2RL3PTGESALOX5
SCHEMBL6601472 0.80 KMT2A (0.40) KMT2AF2RL3PTGESALOX5MAOB
SCHEMBL6600548 0.78 TP53 (0.31)
SCHEMBL6599527 0.75 THRA (0.42) KMT2A
SCHEMBL6601208 0.74 CCR2 (0.35)
SCHEMBL6597519 0.74

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 3 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