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SCHEMBL4030718

SCHEMBL4030718

CCC(O)(c1ccc2cc(C(=O)NC)ccc2c1)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2I)cn1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 5/20 0.39
▸ CYP3A4 P08684 5/20 0.39
▸ ACSS2 Q9NR19 8/20 0.38
▸ PTPN1 P18031 2/20 0.35
▸ KIF11 P52732 2/20 0.32
▸ PLK1 P53350 1/20 0.32
▸ PLAU P00749 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31

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
SCHEMBL4024970 0.91 CYP17A1 (0.44) CYP17A1CYP3A4ACSS2PTPN1KIF11
SCHEMBL4033375 0.84 CYP17A1 (0.43) CYP17A1CYP3A4ACSS2PTPN1KIF11
SCHEMBL2946274 0.83 CYP17A1 (0.43) CYP17A1CYP3A4ACSS2PTPN1KIF11
SCHEMBL313034 0.83 CYP17A1 (0.43) CYP17A1CYP3A4ACSS2PTPN1KIF11
SCHEMBL312882 0.83 CYP17A1 (0.43) CYP17A1CYP3A4ACSS2PTPN1KIF11
SCHEMBL4028443 0.82 CYP17A1 (0.42) CYP17A1CYP3A4ACSS2PTPN1KIF11
SCHEMBL4028379 0.81 CYP17A1 (0.41) CYP17A1CYP3A4ACSS2PTPN1KIF11
SCHEMBL312978 0.81 CYP17A1 (0.41) CYP17A1CYP3A4ACSS2PTPN1PLK1
SCHEMBL314420 0.81 CYP17A1 (0.40) CYP17A1CYP3A4ACSS2PTPN1PLK1
SCHEMBL312425 0.81 CYP17A1 (0.40) CYP17A1CYP3A4ACSS2PTPN1PLK1

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-1222174-B1 IMIDAZOL-4-YLMETHANOLS USED AS INHIBITORS OF STEROID C17-20 LYASE TAKEDA PHARMACEUTICAL (JP) 2009-05-27 — — EP disclosed