SCHEMBL4051609

SCHEMBL4051609

CC(C)(C)[C@H](NC(=O)c1nn(CCCCC#N)c2ccc(Cl)cc12)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 0.48
CNR2 P34972 7/20 0.48
MCL1 Q07820 1/20 0.36
RAB9A P51151 1/20 0.35
MAPT P10636 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
GHSR Q92847 1/20 0.35
KMO O15229 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL13690956 1.00 CNR1 (0.48) CNR1CNR2MCL1RAB9AMAPT
SCHEMBL4056091 0.92 CNR1 (0.59) CNR1CNR2RAB9A
SCHEMBL4057370 0.91 CNR1 (0.47) CNR1CNR2MAPT
SCHEMBL4050243 0.90 CNR1 (0.49) CNR1CNR2KDM4CGHSR
SCHEMBL13691254 0.89 CNR1 (0.52) CNR1CNR2MCL1MAPTKDM4C
SCHEMBL4049934 0.88 CNR1 (0.45) CNR1CNR2RAB9A
SCHEMBL4049656 0.87 CNR1 (0.44) CNR1CNR2KDM4C
SCHEMBL13691236 0.87 CNR1 (0.44) CNR1CNR2
SCHEMBL4054772 0.87 CNR1 (0.48) CNR1CNR2
SCHEMBL4056713 0.87 CNR1 (0.44) CNR1CNR2

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-2009106980-A2 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 WO disclosed