SCHEMBL10691609

SCHEMBL10691609

CNS(=O)(=O)c1ccc(-c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)c(OC)c1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.69
CYP1A2 P05177 1/20 0.69
CYP3A4 P08684 1/20 0.69
ADORA2B P29275 7/20 0.53
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
HSD17B10 Q99714 2/20 0.52
GLA P06280 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
NFKB1 P19838 1/20 0.52
ADORA2A P29274 1/20 0.52
ADORA1 P30542 1/20 0.52
CYP2C19 P33261 1/20 0.52
USP2 O75604 1/20 0.52

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
SCHEMBL10691371 0.89 KDM4E (0.72) KDM4ECYP1A2CYP3A4ADORA2BALDH1A1
SCHEMBL10689195 0.88 KDM4E (0.71) KDM4ECYP1A2CYP3A4ADORA2BALDH1A1
SCHEMBL10694024 0.88 KDM4E (0.71) KDM4ECYP1A2CYP3A4ADORA2BALDH1A1
SCHEMBL10688987 0.86 KDM4E (0.69) KDM4ECYP1A2CYP3A4ADORA2BALDH1A1
SCHEMBL10609344 0.81 KDM4E (0.77) KDM4ECYP1A2CYP3A4ADORA2BALDH1A1
SCHEMBL10609391 0.80 KDM4E (0.80) KDM4ECYP1A2CYP3A4ADORA2BALDH1A1
SCHEMBL10692320 0.79 KDM4E (0.71) KDM4ECYP1A2CYP3A4ADORA2BALDH1A1
SCHEMBL10686204 0.79 KDM4E (0.74) KDM4ECYP1A2CYP3A4ADORA2BALDH1A1
SCHEMBL10712628 0.78 KDM4E (0.76) KDM4ECYP1A2CYP3A4ADORA2BALDH1A1
SCHEMBL10691961 0.77 ADORA2B (0.42) KDM4ECYP1A2CYP3A4ADORA2BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4722929-A Novel 2-phenyl-imidazoles and pharmaceutical compositions containing same DR. KARL THOMAE GMBH (DE) 1988-02-02 US disclosed
EP-0149200-A1 Novel 2-pnenyl-imidazoles, their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1985-07-24 EP disclosed