SCHEMBL3799520

SCHEMBL3799520

CCCn1c(N)nc2ccc(NC(C)=O)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACSS2 Q9NR19 1/20 0.53
▸ POLB P06746 1/20 0.52
▸ TLR8 Q9NR97 3/20 0.49
▸ KDM4E B2RXH2 4/20 0.46
▸ RAB9A P51151 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ MAPT P10636 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ PABPC1 P11940 1/20 0.46
▸ RGS12 O14924 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ GLA P06280 1/20 0.44
▸ TNNI3 P19429 1/20 0.44
▸ TNNT2 P45379 1/20 0.44
▸ TNNC1 P63316 1/20 0.44
▸ RUNX1 Q01196 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
SCHEMBL3796469 0.80 POLB (0.52) POLBTLR8KDM4ERAB9AMEN1
SCHEMBL19437489 0.77 POLB (0.60) ACSS2POLBTLR8KDM4EKMT2A
SCHEMBL3797142 0.76 POLB (0.51) POLBTLR8ALDH1A1SMN1; SMN2
SCHEMBL13077024 0.74 ACSS2 (0.48) ACSS2POLBTLR8KDM4ERAB9A
Hydrochloric Acid SCHEMBL21437300 0.74 TRPV1 (0.50) ACSS2TLR8KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL21437181 0.73 TRPV1 (0.52) TLR8KDM4EMAPTTP53
SCHEMBL15000607 0.72 NPC1 (0.57) POLBKDM4ERAB9AMEN1KMT2A
SCHEMBL13076797 0.72 POLB (0.49) ACSS2POLBTLR8ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL21437386 0.70 MAPT (0.51) ACSS2KDM4EMAPTTP53
SCHEMBL1520381 0.70 POLB (1.00) POLBTLR8KDM4ERAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010126922-A1 BENZIMIDAZOLECARBOXAMIDES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC (US) 2010-11-04 — — WO disclosed
WO-2010126922-A1 BENZIMIDAZOLECARBOXAMIDES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC (US) 2010-11-04 — — WO disclosed
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