SCHEMBL6683686

SCHEMBL6683686

COc1ccc(C=C2C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1Br

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 1/20 0.64
CDK2 P24941 1/20 0.64
NOX4 Q9NPH5 1/20 0.63
PDE4A P27815 1/20 0.62
PDE4B Q07343 1/20 0.62
PDE4C Q08493 1/20 0.62
PDE4D Q08499 1/20 0.62
RET P07949 2/20 0.56
GSK3B P49841 6/20 0.56
PLK4 O00444 1/20 0.55
MAPT P10636 3/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PDGFRB P09619 1/20 0.53
JAK3 P52333 1/20 0.53
APP P05067 2/20 0.52
SNCA P37840 2/20 0.52
LRRK2 Q5S007 1/20 0.52
EGFR P00533 1/20 0.51

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
SCHEMBL3754813 0.84 CCNE1 (0.68) CCNE1CDK2NOX4PDE4APDE4B
SCHEMBL13080904 0.83 RET (0.67) CCNE1CDK2NOX4PDE4APDE4B
SCHEMBL1851097 0.83 RET (0.67) CCNE1CDK2NOX4PDE4APDE4B
SCHEMBL1851095 0.83 RET (0.67) CCNE1CDK2NOX4PDE4APDE4B
SCHEMBL1395341 0.81 NOX4 (0.69) NOX4RETGSK3BPLK4MAPT
SCHEMBL1395339 0.81 NOX4 (0.69) NOX4RETGSK3BPLK4MAPT
SCHEMBL6405476 0.81 ERBB2 (0.71) CCNE1CDK2PDE4APDE4BPDE4C
SCHEMBL6405474 0.81 ERBB2 (0.71) CCNE1CDK2PDE4APDE4BPDE4C
SCHEMBL13080514 0.80 CCNE1 (0.66) CCNE1CDK2NOX4PDE4APDE4B
SCHEMBL3754352 0.79 NOX4 (0.67) CCNE1CDK2NOX4RETGSK3B

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