SCHEMBL11486644

SCHEMBL11486644

N#Cc1ccc(C=Cc2ccc(-c3cc4ccccc4o3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.55
MAOB P27338 2/20 0.53
AR P10275 2/20 0.48
CA9 Q16790 2/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
ALOX5 P09917 1/20 0.47
PTGES2 Q9H7Z7 4/20 0.46
CYP2A6 P11509 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
NFKB1 P19838 1/20 0.44
NPY1R P25929 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
KMT2A Q03164 1/20 0.44
RELA Q04206 1/20 0.44
SMN1; SMN2 Q16637 1/20 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
SCHEMBL11486638 1.00 TNKS (0.55) TNKSMAOBARCA9CA1
SCHEMBL3979428 0.91 TNKS (0.63) TNKSMAOBARCA9CA1
SCHEMBL11500108 0.87 MAOB (0.43) TNKSMAOBARCA9CA1
SCHEMBL11500109 0.87 MAOB (0.43) TNKSMAOBARCA9CA1
SCHEMBL11493389 0.86 TNKS (0.46) TNKSMAOBARCA9KDM4E
SCHEMBL11493391 0.86 TNKS (0.46) TNKSMAOBARCA9KDM4E
SCHEMBL11486060 0.85 MAOB (0.62) MAOBCA9CA1CA2ALOX5
SCHEMBL11486058 0.85 MAOB (0.62) MAOBCA9CA1CA2ALOX5
SCHEMBL11491896 0.84 MAOB (0.48) TNKSMAOBCA9CA1CA2
SCHEMBL11491895 0.84 MAOB (0.48) TNKSMAOBCA9CA1CA2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4217301-A Cyano-substituted stilbene compounds CIBA-GEIGY CORPORATION (US) 1980-08-12 US disclosed
US-4097515-A Process for the manufacture of cyano-substituted stilbene compounds CIBA-GEIGY CORPORATION (US) 1978-06-27 US disclosed
US-4008224-A OPTICAL BRIGHTENER CIBA-GEIGY CORPORATION (US) 1977-02-15 US disclosed