SCHEMBL4027157

SCHEMBL4027157

OC(c1ccc2c3c(ccc2c1)OCC3)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
USP9X Q93008 1/20 0.30

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
SCHEMBL4033508 0.94
SCHEMBL7532936 0.86 FLT3 (0.33)
SCHEMBL4027506 0.79 ENPP2 (0.31)
SCHEMBL4023986 0.77 VNN1 (0.36)
SCHEMBL9518468 0.75 ENPP2 (0.33) USP9X
SCHEMBL5682208 0.74 AKR1C3 (0.40)
SCHEMBL14249054 0.74 SIRT2 (0.34)
SCHEMBL1414837 0.73 SIRT2 (0.33)
SCHEMBL2202154 0.73 CYP11B1 (0.40)
SCHEMBL5751606 0.72 SIRT2 (0.35)

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 4 patents. 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
US-6649643-B1 Antitumor, anticarcinogenic, and antimetastasis agents; benign prostatic hyperplasia, alopecia, endometriosis, uterine myoma, hirsutism, virilism, precocious puberty, mastopathy, and polycystic overay syndrome treatment TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-11-18 US disclosed
EP-1222174-A1 IMIDAZOL-4-YLMETHANOLS USED AS INHIBITORS OF STEROID C17-20 LYASE Takeda Chemical Industries, Ltd. (JP) 2002-07-17 EP disclosed
WO-2001030762-A1 IMIDAZOL-4-YLMETHANOLS USE AS INHIBITORS OF STEROID C17-20 LYASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-03 WO disclosed