SCHEMBL5597463

SCHEMBL5597463

N#Cc1ccc(C(c2ccc(C#N)cc2)c2nnn[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 15/20 0.51
CYP3A4 P08684 1/20 0.36
CYP11B1 P15538 1/20 0.36
TSHR P16473 1/20 0.36
CYP11B2 P19099 1/20 0.36
CYP2C19 P33261 1/20 0.36
OPRD1 P41143 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP2A6 P11509 1/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA6 P23280 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
NOTUM Q6P988 2/20 0.33

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
SCHEMBL12892188 0.76 PTGDR2 (0.37) CYP19A1
SCHEMBL1507964 0.74 CYP19A1 (0.46) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
SCHEMBL4078028 0.73 CYP19A1 (0.68) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
SCHEMBL8408602 0.71 CYP19A1 (0.52) CYP19A1OPRD1
SCHEMBL4402319 0.70 NOTUM (0.42) CYP11B2NOTUM
SCHEMBL2128801 0.70 CYP19A1 (0.50) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
SCHEMBL2354904 0.70 CYP19A1 (0.46) CYP19A1CYP3A4CYP11B1TSHRCYP11B2
SCHEMBL9254542 0.69 MMP3 (0.44) CYP11B2CA12CA2CA9NOTUM
SCHEMBL9165234 0.68 ALDH1A1 (0.47) CYP19A1CYP3A4CYP2C19ALDH1A1CYP2A6
SCHEMBL9161325 0.68 CYP19A1 (0.41) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1804819-A4 USE OF AROMATASE INHIBITORS FOR ENDOMETRIAL THINNING IN PREPARATION FOR SURGICAL PROCEDURES ON THE ENDOMETRIAL CAVITY AND UTERUS UNIV WAYNE STATE (US) 2007-12-12 EP disclosed
EP-1804819-A2 USE OF AROMATASE INHIBITORS FOR ENDOMETRIAL THINNING IN PREPARATION FOR SURGICAL PROCEDURES ON THE ENDOMETRIAL CAVITY AND UTERUS WAYNE STATE UNIVERSITY (US) 2007-07-11 EP disclosed
WO-2006041939-A2 USE OF AROMATASE INHIBITORS FOR ENDOMETRIAL THINNING IN PREPARATION FOR SURGICAL PROCEDURES ON THE ENDOMETRIAL CAVITY AND UTERUS WAYNE STATE UNIVERSITY (US) 2006-04-20 WO disclosed
EP-1492515-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN AROMATASE INHIBITOR AND AN ESTROGEN SUITABLE FOR HORMONE REPLACEMENT THERAPY FOR A MALE JENCAP RESEARCH LTD. (CA) 2005-01-05 EP disclosed
WO-2003082254-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN AROMATASE INHIBITOR AND AN ESTROGEN SUITABLE FOR HORMONE REPLACEMENT THERAPY FOR A MALE JENCAP RESEARCH LTD. (CA) 2003-10-09 WO disclosed
WO-2003082299-A1 IMPROVED HORMONE REPLACEMENT THERAPY JENCAP RESEARCH LTD. (CA) 2003-10-09 WO disclosed