SCHEMBL21781468

SCHEMBL21781468

O=NCc1cccc(-c2cccc(CO)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 1/20 0.55
▸ ACMSD Q8TDX5 1/20 0.50
▸ CNR2 P34972 2/20 0.43
▸ CHRNB4 P30926 1/20 0.42
▸ CHRNA3 P32297 1/20 0.42
▸ CHRNA7 P36544 1/20 0.42
▸ CDK8 P49336 1/20 0.42
▸ IKBKB O14920 1/20 0.41
▸ CHUK O15111 1/20 0.41
▸ HSD17B1 P14061 1/20 0.41
▸ HSD17B2 P37059 1/20 0.41
▸ ENPP2 Q13822 1/20 0.41
▸ PTGER4 P35408 3/20 0.41
▸ PTGES2 Q9H7Z7 1/20 0.40
▸ FGFR1 P11362 1/20 0.39
▸ PRSS1 P07477 1/20 0.39
▸ PRSS2 P07478 1/20 0.39
▸ PRSS3 P35030 1/20 0.39
▸ ADAMTS4 O75173 1/20 0.39
▸ GRIA2 P42262 1/20 0.38

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
SCHEMBL18758459 0.90 GRIN2D (0.45) PRKCIACMSDENPP2PRSS1PRSS2
SCHEMBL4191589 0.83 PRKCI (0.72) PRKCIACMSDCNR2CHRNB4CHRNA3
SCHEMBL18297788 0.81 PRKCI (0.76) PRKCIACMSDCNR2CHRNB4CHRNA3
SCHEMBL24495600 0.79 TAAR1 (0.50) —
SCHEMBL23750141 0.79 PRKCI (0.67) PRKCIACMSDCNR2CHRNB4CHRNA3
SCHEMBL17230076 0.79 GRIN2B (0.48) ENPP2
SCHEMBL14568511 0.78 HSD17B1 (0.60) PRKCIACMSDCNR2CHRNB4CHRNA3
SCHEMBL249824 0.77 PRKCI (0.70) PRKCIACMSDCNR2CHRNB4CHRNA3
SCHEMBL30108284 0.77 PRKCI (0.70) PRKCIACMSDCNR2CHRNB4CHRNA3
SCHEMBL16578698 0.75 PRKCI (0.68) PRKCIACMSDCHRNB4CHRNA3CHRNA7

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
EP-3617185-A1 METHOD FOR PRODUCING AMIDE COMPOUND Chubu University Educational Foundation (JP) 2020-03-04 — — EP disclosed
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