SCHEMBL3796469

SCHEMBL3796469

CCCn1c(N)nc2cc(NC(=O)O)ccc21

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.52
▸ TLR8 Q9NR97 4/20 0.52
▸ RAB9A P51151 4/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ NPC1 O15118 4/20 0.46
▸ BACE1 P56817 3/20 0.45
▸ MAPT P10636 2/20 0.44
▸ NUDT1 P36639 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ STING1 Q86WV6 1/20 0.42

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
SCHEMBL13077024 0.83 ACSS2 (0.48) POLBTLR8RAB9ACYP1A2CYP2C19
SCHEMBL21437408 0.82 BACE1 (0.53) POLBTLR8BACE1MAPTNUDT1
SCHEMBL3795623 0.80 BACE1 (0.51) POLBTLR8CYP1A2CYP2C19BACE1
SCHEMBL3799520 0.80 ACSS2 (0.53) POLBTLR8RAB9ANPC1MAPT
SCHEMBL26451909 0.78 HSD17B10 (0.55) POLBRAB9ACYP1A2NPC1MAPT
SCHEMBL19437515 0.77 KMT2A (0.63) POLBTLR8NPC1KMT2ASTING1
Hydrochloric Acid SCHEMBL28512158 0.76 EHMT2 (0.56) RAB9ANPC1MAPTKDM4EMEN1
SCHEMBL3795628 0.76 POLB (0.51) POLBTLR8BACE1NUDT1
SCHEMBL26451915 0.76 RAB9A (0.54) POLBTLR8RAB9ANPC1BACE1
SCHEMBL21437355 0.75 BACE1 (0.53) TLR8RAB9ANPC1BACE1KDM4E

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 1 patent. 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
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