SCHEMBL9550328

SCHEMBL9550328

Cc1ccc2c(c1)C(=O)N(C#N)C2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.46
CA9 Q16790 6/20 0.45
CA1 P00915 5/20 0.45
CA12 O43570 3/20 0.45
CA2 P00918 4/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
CHRM2 P08172 2/20 0.43
USP8 P40818 1/20 0.42
USP7 Q93009 1/20 0.42
ELANE P08246 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
CASP1 P29466 1/20 0.42
RAB9A P51151 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CA4 P22748 2/20 0.40
CA7 P43166 1/20 0.40

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
SCHEMBL9550316 0.78 ESR1 (0.51) APPCA9CA1CA2NPC1
SCHEMBL9550432 0.77 S100A4 (0.47) APPUSP8USP7NPC1
SCHEMBL9550347 0.77 AR (0.43) CA9CA1CA2USP8USP7
SCHEMBL2616778 0.75 APP (0.67) APPCA9CA1CA12CA2
SCHEMBL9550323 0.74 CA12 (0.43) CA9CA12ALDH1A1RAB9A
SCHEMBL9143697 0.74 CA12 (0.43) CA9CA12ALDH1A1RAB9A
SCHEMBL13495392 0.74 CA9 (0.46) APPCA9CA1CA12CA2
SCHEMBL23598132 0.74 CHRM2 (0.50) APPCA9CA1CA12CA2
SCHEMBL21625399 0.74 CA9 (0.49) APPCA9CA1CA12CA2
SCHEMBL22475767 0.74 CA9 (0.51) APPCA9CA1CA12CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0484381-A1 N-CYANOIMIDES AND PROCESS FOR THEIR PREPARATION AND USES THEREOF HENKEL RESEARCH CORPORATION (US) 1992-05-13 EP claimed
WO-1991001307-A2 N-CYANOIMIDES AND PROCESS FOR THEIR PREPARATION AND USES THEREOF HENKEL RESEARCH CORPORATION (US) 1991-02-07 WO claimed
US-5216173-A Curing agents for epoxy resins; polyimides HENKEL RESEARCH CORPORATION (US) 1993-06-01 US disclosed
EP-0484381-A1 N-CYANOIMIDES AND PROCESS FOR THEIR PREPARATION AND USES THEREOF HENKEL RESEARCH CORPORATION (US) 1992-05-13 EP disclosed
WO-1991001307-A2 N-CYANOIMIDES AND PROCESS FOR THEIR PREPARATION AND USES THEREOF HENKEL RESEARCH CORPORATION (US) 1991-02-07 WO disclosed