SCHEMBL6741746

SCHEMBL6741746

N#Cc1ccc(C(c2ccccc2C#N)n2cncn2)cc1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 19/20 0.72
CYP3A4 P08684 1/20 0.72
CYP11B1 P15538 1/20 0.72
TSHR P16473 1/20 0.72
CYP11B2 P19099 1/20 0.72
CYP2C19 P33261 1/20 0.72
STS P08842 4/20 0.47
CYP26A1 O43174 1/20 0.46

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
SCHEMBL3987586 0.87 CYP19A1 (0.54) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
Letrozole SCHEMBL29079510 0.84 CYP19A1 (1.00) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
Letrozole SCHEMBL4331 0.84 CYP19A1 (1.00) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
Letrozole SCHEMBL5326636 0.84 CYP19A1 (1.00) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
Letrozole SCHEMBL178028 0.84 CYP19A1 (1.00) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
Letrozole SCHEMBL1026263 0.83 CYP19A1 (0.97) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
Letrozole SCHEMBL28081077 0.83 CYP19A1 (0.97) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
SCHEMBL10075551 0.78 CYP19A1 (0.85) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
SCHEMBL13285157 0.78 CYP19A1 (0.85) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
SCHEMBL19661207 0.78 CYP19A1 (0.85) CYP19A1CYP3A4CYP11B1TSHRCYP11B2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6696432-B1 SYNERGYSTIC MIXTURES OF PRASTERONE, PREFERENTIAL ENZYME INHIBITORS SUCH AS FORMESTANE, TESTOLACTONE OR VOROZOLE AND CARRIERS, ADMINISTERED FOR PROPHYLAXIS OF HYPOANDROGENISM SCHERING AKTIENGESELLSCHAFT (DE) 2004-02-24 US disclosed
EP-0885005-B1 COMBINATION OF DEHYDROEPIANDROSTERONE AND AROMATASE INHIBITORS AND USE OF THIS COMBINATION TO PRODUCE A MEDICAMENT FOR TREATING RELATIVE AND ABSOLUTE ANDROGEN DEFICIENCY IN MEN SCHERING AG (DE) 2003-08-27 EP disclosed
EP-0782450-B1 USE OF AROMATASE INHIBITORS IN THE PREPARATION OF A DRUG FOR TREATING A RELATIVE ANDROGEN DEFICIENCY IN MEN SCHERING AG (DE) 2003-06-04 EP disclosed
US-5906987-A HORMONE REPLACEMENT THERAPY SCHERING AKTIENGESELLSCHAFT AND BOARD OF REGENTS (DE) 1999-05-25 US disclosed
US-5861389-A TREATING MALE MENOPAUSE SCHERING AKTIENGESELLSCHAFT (DE) 1999-01-19 US disclosed
EP-0885005-A2 COMBINATION OF DEHYDROEPIANDROSTERONE AND AROMATASE INHIBITORS AND USE OF THIS COMBINATION TO PRODUCE A MEDICAMENT FOR TREATING RELATIVE AND ABSOLUTE ANDROGEN DEFICIENCY IN MEN SCHERING AKTIENGESELLSCHAFT (DE) 1998-12-23 EP disclosed
WO-1997032588-A2 COMBINATION OF DEHYDROEPIANDROSTERONE AND AROMATASE INHIBITORS AND USE OF THIS COMBINATION TO PRODUCE A MEDICAMENT FOR TREATING RELATIVE AND ABSOLUTE ANDROGEN DEFICIENCY IN MEN SCHERING AKTIENGESELLSCHAFT (DE) 1997-09-12 WO disclosed
EP-0782450-A1 USE OF AROMATASE INHIBITORS IN THE PREPARATION OF A DRUG FOR TREATING A RELATIVE ANDROGEN DEFICIENCY IN MEN SCHERING AKTIENGESELLSCHAFT (DE) 1997-07-09 EP disclosed
WO-1996009057-A1 USE OF AROMATASE INHIBITORS IN THE PREPARATION OF A DRUG FOR TREATING A RELATIVE ANDROGEN DEFICIENCY IN MEN SCHERING AKTIENGESELLSCHAFT (DE) 1996-03-28 WO disclosed