SCHEMBL8516536

SCHEMBL8516536

Cc1c(C(N)=O)ccc(CN)c1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BCAT2 O15382 1/20 0.42
▸ BRD4 O60885 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ IKBKB O14920 2/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ DPP4 P27487 1/20 0.37
▸ FABP4 P15090 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ DHODH Q02127 1/20 0.36
▸ MAP2 P11137 1/20 0.36
▸ RAB9A P51151 2/20 0.35
▸ MKNK1 Q9BUB5 1/20 0.35
▸ MKNK2 Q9HBH9 1/20 0.35
▸ NPC1 O15118 1/20 0.35

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
SCHEMBL20552421 0.83 BCAT2 (0.50) BCAT2BRD4KDM4EMEN1KMT2A
SCHEMBL529871 0.82 BCAT2 (0.48) BCAT2BRD4KDM4EMEN1KMT2A
SCHEMBL6389902 0.80 BCAT2 (0.47) BCAT2BRD4KDM4EMEN1KMT2A
SCHEMBL27574214 0.79 BCAT2 (0.50) BCAT2KDM4EMEN1KMT2AIKBKB
SCHEMBL27911586 0.79 BCAT2 (0.55) BCAT2BRD4KDM4EMEN1KMT2A
Dimethylamine SCHEMBL9280041 0.79 BCAT2 (0.46) BCAT2BRD4KDM4EMEN1KMT2A
SCHEMBL27942798 0.78 CASP1 (0.44) BCAT2BRD4KDM4EMEN1KMT2A
SCHEMBL27923730 0.78 BCAT2 (0.39) BCAT2BRD4KDM4EMEN1KMT2A
SCHEMBL3834197 0.78 KMT2A (0.50) BCAT2BRD4KDM4EMEN1KMT2A
SCHEMBL28784266 0.78 BCAT2 (0.44) BCAT2BRD4KDM4EMEN1KMT2A

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-0831800-A4 ARYLSULFONYLAMINOBENZENE DERIVATIVES AND THE USE THEREOF AS FACTOR Xa INHIBITORS DIMENSIONAL PHARM INC (US) 1999-03-10 — — EP claimed
EP-0831800-A1 ARYLSULFONYLAMINOBENZENE DERIVATIVES AND THE USE THEREOF AS FACTOR Xa INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1998-04-01 — — EP claimed
WO-1996040100-A1 ARYLSULFONYLAMINOBENZENE DERIVATIVES AND THE USE THEREOF AS FACTOR Xa INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1996-12-19 — — WO claimed
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