SCHEMBL8305401

SCHEMBL8305401

CC(=O)Nc1ccc2c(C)c(C(=O)c3ccc(C)cc3)oc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.53
▸ CA1 P00915 1/20 0.53
▸ CA9 Q16790 1/20 0.53
▸ ALDH1A1 P00352 6/20 0.53
▸ KDM4E B2RXH2 4/20 0.53
▸ MAPT P10636 3/20 0.53
▸ HPGD P15428 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ RAB9A P51151 4/20 0.51
▸ NPC1 O15118 3/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ TSHR P16473 2/20 0.51
▸ TP53 P04637 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.47
▸ POLB P06746 2/20 0.47
▸ MAP2K1 Q02750 1/20 0.46
▸ MAOB P27338 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ TUBB4A P04350 1/20 0.44

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
SCHEMBL8841210 0.83 MAPT (0.51) ALDH1A1KDM4EMAPTHPGDKMT2A
SCHEMBL9075646 0.83 SMN1; SMN2 (0.45) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL9076806 0.82 MAOB (0.42) ALDH1A1KDM4EMAPTHPGDKMT2A
SCHEMBL8841212 0.78 ALDH1A1 (0.46) CA12CA1CA9ALDH1A1KDM4E
SCHEMBL8841216 0.78 HIF1A (0.44) CA12CA9ALDH1A1KDM4EMAPT
SCHEMBL9074252 0.77 MAOB (0.50) ALDH1A1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL31384139 0.75 RAB9A (0.61) ALDH1A1KDM4EMAPTHPGDKMT2A
SCHEMBL30608268 0.75 NPC1 (0.73) ALDH1A1KDM4EMAPTHPGDKMT2A
SCHEMBL8841202 0.74 MAPT (0.53) CA12CA1CA9ALDH1A1KDM4E
SCHEMBL8309076 0.72 CA12 (0.43) CA12CA1CA9ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5622989-A ANTIINFLAMMATORY AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1997-04-22 — — US claimed
EP-0685475-B1 Amino-benzofuryl-and thienyl-derivatives BAYER AG (DE) 1999-01-13 — — EP disclosed
EP-0685474-B1 Oxalylamino-benzofuran- and benzothienyl-derivatives BAYER AG (DE) 1998-09-16 — — EP disclosed
US-5622989-A ANTIINFLAMMATORY AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1997-04-22 — — US disclosed
US-5565488-A ANTIINFLAMMATORY AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1996-10-15 — — US disclosed
EP-0685475-A1 Amino-benzofuryl-and thienyl-derivatives BAYER AG (DE) 1995-12-06 — — EP disclosed
EP-0685474-A1 Oxalylamino-benzofuran- and benzothienyl-derivatives BAYER AG (DE) 1995-12-06 — — EP disclosed
Send feedback