SCHEMBL4027640

SCHEMBL4027640

CC(C)CC(O)(c1ccc2cc(-c3c[nH]nn3)ccc2c1)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NMBR P28336 1/20 0.32
SIRT2 Q8IXJ6 6/20 0.32

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
SCHEMBL4034151 0.87 CYP3A4 (0.38) SIRT2
SCHEMBL4026392 0.82
SCHEMBL4029943 0.81 SIRT2 (0.36) NMBRSIRT2
SCHEMBL4028289 0.79 CYP17A1 (0.46)
SCHEMBL4033872 0.79 CYP17A1 (0.33)
SCHEMBL4027429 0.78 ACSS2 (0.36) SIRT2
SCHEMBL4026834 0.78 SIRT2 (0.34) SIRT2
SCHEMBL4026461 0.78 CYP17A1 (0.41) SIRT2
SCHEMBL4028297 0.78 SIRT2 (0.35) NMBRSIRT2
SCHEMBL7533088 0.78 CYP17A1 (0.43)

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