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SCHEMBL7563594

SCHEMBL7563594

CC(=O)Nc1cccc(-c2ccc(C(O)(c3c[nH]cn3)C(C)C)cc2)c1.CC(=O)Nc1cccc(-c2ccc(C(O)(c3c[nH]cn3)C(C)C)cc2)c1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 17/20 0.66
▸ CYP3A4 P08684 7/20 0.66
▸ ADAMTS4 O75173 1/20 0.45
▸ CYP11B1 P15538 1/20 0.45
▸ CYP11B2 P19099 1/20 0.45
▸ SYK P43405 2/20 0.43

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
SCHEMBL5688564 1.00 CYP17A1 (0.66) CYP17A1CYP3A4ADAMTS4CYP11B1CYP11B2
SCHEMBL29478298 1.00 CYP17A1 (0.66) CYP17A1CYP3A4ADAMTS4CYP11B1CYP11B2
SCHEMBL5688287 0.93 CYP17A1 (0.56) CYP17A1CYP3A4ADAMTS4SYK
SCHEMBL5688374 0.90 CYP17A1 (0.63) CYP17A1CYP3A4ADAMTS4
SCHEMBL22284856 0.90 CYP17A1 (0.67) CYP17A1CYP3A4
SCHEMBL7563598 0.90 CYP17A1 (0.53) CYP17A1CYP3A4
SCHEMBL5688634 0.89 CYP17A1 (0.52) CYP17A1CYP3A4
SCHEMBL5690716 0.88 CYP17A1 (0.51) CYP17A1CYP3A4SYK
SCHEMBL5690790 0.87 CYP17A1 (0.64) CYP17A1CYP3A4CYP11B1CYP11B2SYK
SCHEMBL5688811 0.86 CYP17A1 (0.55) CYP17A1CYP3A4ADAMTS4CYP11B1CYP11B2

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-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