SCHEMBL13889353

SCHEMBL13889353

Cc1cc(N2C(=O)[C@@H]3[C@H](C2=O)C2(Cc4ccccc4)C=CC3(C)O2)ccc1C#N

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 6/20 0.45
APBA1 Q02410 6/20 0.45
AR P10275 11/20 0.40
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL13889352 0.87 CACNA1B (0.43) CACNA1BAPBA1ARALDH1A1TP53
SCHEMBL13480984 0.87 AR (0.55) AR
SCHEMBL13482475 0.87 AR (0.55) AR
SCHEMBL13889743 0.81 AR (0.41) CACNA1BAPBA1ARMEN1ALDH1A1
SCHEMBL13889653 0.80 AR (0.44) CACNA1BAPBA1AR
SCHEMBL13482175 0.73 CACNA1B (0.43) CACNA1BAPBA1ARMEN1ALDH1A1
SCHEMBL13989449 0.71 AR (0.44) CACNA1BAPBA1ARMEN1ALDH1A1
SCHEMBL13807462 0.71 AR (0.53) CACNA1BAPBA1AR
SCHEMBL13482341 0.71 AR (0.65) CACNA1BAPBA1ARMEN1ALDH1A1
SCHEMBL3173897 0.71 AR (0.65) CACNA1BAPBA1ARMEN1ALDH1A1

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-7517904-B2 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-14 US disclosed