SCHEMBL10692320

SCHEMBL10692320

COc1cc([S+](C)[O-])ccc1-c1nc2c([nH]1)c(=O)n(C)c(=O)n2C

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.71
CYP1A2 P05177 1/20 0.71
CYP3A4 P08684 1/20 0.71
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
USP2 O75604 1/20 0.53
HSD17B10 Q99714 1/20 0.53
ADORA2B P29275 3/20 0.53
TDP1 Q9NUW8 1/20 0.50
PDE5A O76074 1/20 0.49

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
SCHEMBL10609344 0.82 KDM4E (0.77) KDM4ECYP1A2CYP3A4ALDH1A1HPGD
SCHEMBL10691371 0.82 KDM4E (0.72) KDM4ECYP1A2CYP3A4ALDH1A1HPGD
SCHEMBL10694024 0.81 KDM4E (0.71) KDM4ECYP1A2CYP3A4ALDH1A1HPGD
SCHEMBL10689195 0.81 KDM4E (0.71) KDM4ECYP1A2CYP3A4ALDH1A1HPGD
SCHEMBL10686204 0.81 KDM4E (0.74) KDM4ECYP1A2CYP3A4ALDH1A1HPGD
SCHEMBL10712628 0.79 KDM4E (0.76) KDM4ECYP1A2CYP3A4ALDH1A1HPGD
SCHEMBL10691609 0.79 KDM4E (0.69) KDM4ECYP1A2CYP3A4ALDH1A1HPGD
SCHEMBL10688987 0.79 KDM4E (0.69) KDM4ECYP1A2CYP3A4ALDH1A1HPGD
SCHEMBL10609391 0.78 KDM4E (0.80) KDM4ECYP1A2CYP3A4ALDH1A1HPGD
SCHEMBL9705442 0.76 KDM4E (0.41) KDM4ECYP1A2CYP3A4ADORA2BPDE5A

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-4722929-A Novel 2-phenyl-imidazoles and pharmaceutical compositions containing same DR. KARL THOMAE GMBH (DE) 1988-02-02 US disclosed
EP-0209707-A2 2-Aryl imidazoles, pharmaceutical compositions containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1987-01-28 EP disclosed
EP-0149200-A1 Novel 2-pnenyl-imidazoles, their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1985-07-24 EP disclosed