SCHEMBL5690716

SCHEMBL5690716

CC(=O)Nc1cc(C)cc(-c2ccc(C(O)(c3c[nH]cn3)C(C)C)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 16/20 0.51
CYP3A4 P08684 6/20 0.51
SYK P43405 1/20 0.40
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.35
DHODH Q02127 1/20 0.35

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
SCHEMBL5688374 0.88 CYP17A1 (0.63) CYP17A1CYP3A4
SCHEMBL5690714 0.88 CYP17A1 (0.49) CYP17A1CYP3A4SYK
SCHEMBL29478298 0.88 CYP17A1 (0.66) CYP17A1CYP3A4SYK
SCHEMBL7563594 0.88 CYP17A1 (0.66) CYP17A1CYP3A4SYK
SCHEMBL5688564 0.88 CYP17A1 (0.66) CYP17A1CYP3A4SYK
SCHEMBL5689065 0.82 CYP17A1 (0.48) CYP17A1CYP3A4MEN1KMT2A
SCHEMBL5690780 0.81 CYP17A1 (0.49) CYP17A1CYP3A4MEN1KMT2A
SCHEMBL5688287 0.80 CYP17A1 (0.56) CYP17A1CYP3A4SYK
SCHEMBL4024841 0.80 CYP17A1 (0.64) CYP17A1CYP3A4MEN1KMT2A
SCHEMBL7537711 0.80 CYP17A1 (0.64) CYP17A1CYP3A4MEN1KMT2A

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
EP-1227086-B1 1-SUBSTITUTED PHENYL-1-(1H-IMIDAZOL-4-YL) ALCOHOLS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2006-03-29 EP disclosed
US-6518257-B1 1-substituted phenyl-1-(1h-imidazol-4-yl) alcohols, process for producing the same and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-02-11 US disclosed
EP-1227086-A1 1-SUBSTITUTED PHENYL-1-(1H-IMIDAZOL-4-YL) ALCOHOLS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-07-31 EP disclosed