SCHEMBL9657331

SCHEMBL9657331

CC(=O)NC(C)Cc1cccnc1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACACB O00763 10/20 0.65
POLB P06746 1/20 0.52
LMNA P02545 2/20 0.51
TBXAS1 P24557 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
FDPS P14324 1/20 0.50

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
SCHEMBL21896497 0.88 POLB (0.55) ACACBPOLBLMNATBXAS1NPC1
SCHEMBL9519327 0.82 PTAFR (0.60) LMNA
SCHEMBL9519330 0.82 PTAFR (0.60) LMNA
SCHEMBL30801050 0.82 GPR132 (0.55) ACACBLMNATBXAS1FDPS
SCHEMBL3781118 0.82 GPR132 (0.55) ACACBLMNATBXAS1FDPS
SCHEMBL3781113 0.82 GPR132 (0.55) ACACBLMNATBXAS1FDPS
SCHEMBL6192467 0.82 ACACB (0.48) ACACBTBXAS1FDPS
SCHEMBL7862745 0.82 ACACB (0.50) ACACBPOLBLMNATBXAS1FDPS
SCHEMBL6192282 0.82 GPR132 (0.55) ACACBLMNATBXAS1FDPS
SCHEMBL27503053 0.82 ACACB (0.48) ACACBTBXAS1FDPS

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
US-5081131-A Omega-((hetero)alkyl)benz(cd)-indol-2-amines AMERICAN CYANAMID COMPANY (US) 1992-01-14 US disclosed