SCHEMBL6689535

SCHEMBL6689535

COc1ccc(C=C2C(=O)Nc3cc(C#N)ccc32)cc1Br

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 5/20 0.53
MDM2 Q00987 2/20 0.50
ERBB2 P04626 3/20 0.49
PLK4 O00444 1/20 0.48
RET P07949 1/20 0.48
FLT3 P36888 1/20 0.46
LRRK2 Q5S007 1/20 0.45
DHFR P00374 1/20 0.45
DYRK1A Q13627 1/20 0.45
EGFR P00533 2/20 0.44

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
SCHEMBL6689531 1.00 ESRRA (0.53) ESRRAMDM2ERBB2PLK4RET
SCHEMBL6405476 0.82 ERBB2 (0.71) MDM2ERBB2PLK4DHFREGFR
SCHEMBL6405474 0.82 ERBB2 (0.71) MDM2ERBB2PLK4DHFREGFR
SCHEMBL5775855 0.81 RAF1 (0.65) PLK4LRRK2EGFR
SCHEMBL5775852 0.81 RAF1 (0.65) PLK4LRRK2EGFR
SCHEMBL5472583 0.79 MDM2 (0.63) MDM2
SCHEMBL5472587 0.79 MDM2 (0.63) MDM2
SCHEMBL6689907 0.79 TUBB4A (0.69) MDM2RET
SCHEMBL6689901 0.79 TUBB4A (0.69) MDM2RET
SCHEMBL6405501 0.78 NOX4 (0.64) ERBB2RETFLT3LRRK2

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-2004069998-A2 OXINDOLE DERIVATIVES AS ANTIMICROBIAL AGENTS ARROW THERAPEUTICS LIMITED (GB) 2004-08-19 WO disclosed