SCHEMBL11304576

SCHEMBL11304576

N#CC=Cc1ccc(C=Cc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
MAOB P27338 3/20 0.50
NFE2L2 Q16236 2/20 0.50
CYP19A1 P11511 2/20 0.50
MAOA P21397 2/20 0.50
ENPP2 Q13822 1/20 0.48
RELA Q04206 3/20 0.45
TRPA1 O75762 2/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CHAT P28329 1/20 0.41
HDAC1 Q13547 1/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 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
Cinnamonitrile SCHEMBL996307 0.95 KDM4E (0.54) KDM4EMAOBNFE2L2CYP19A1MAOA
Cinnamonitrile SCHEMBL23599 0.95 KDM4E (0.54) KDM4EMAOBNFE2L2CYP19A1MAOA
Cinnamonitrile SCHEMBL23933 0.95 KDM4E (0.54) KDM4EMAOBNFE2L2CYP19A1MAOA
SCHEMBL10846493 0.90 KDM4E (0.64) KDM4EMAOBNFE2L2CYP19A1MAOA
SCHEMBL3144474 0.90 KDM4E (0.64) KDM4EMAOBNFE2L2CYP19A1MAOA
Cinnamonitrile SCHEMBL28165460 0.86 ENPP2 (0.50) KDM4EMAOBNFE2L2CYP19A1MAOA
SCHEMBL1287794 0.86 KDM4E (0.52) KDM4EMAOBNFE2L2CYP19A1MAOA
SCHEMBL11265587 0.86 KDM4E (0.52) KDM4EMAOBNFE2L2CYP19A1MAOA
Cinnamonitrile SCHEMBL28064832 0.86 KDM4E (0.47) KDM4EMAOBNFE2L2CYP19A1MAOA
Cinnamonitrile SCHEMBL27473675 0.86 KDM4E (0.62) KDM4EMAOBNFE2L2CYP19A1MAOA

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
EP-0062608-A1 4-Halogenostilbene derivatives and process for their preparation CIBA-GEIGY AG (CH) 1982-10-13 EP disclosed