SCHEMBL4642499

SCHEMBL4642499

Cc1cnc(C/C(=C/c2ccc(C#N)cc2)c2ccc(C#N)cc2)[nH]1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 3/20 0.35
SCN10A Q9Y5Y9 1/20 0.34
ALDH1A1 P00352 4/20 0.33
ESR1 P03372 2/20 0.33
PKM P14618 2/20 0.33
ESR2 Q92731 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
MAPT P10636 2/20 0.33
EP300 Q09472 1/20 0.32
P4HB P07237 1/20 0.32
SLC6A3 Q01959 1/20 0.31
HTT P42858 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
SCHEMBL4640792 0.72 CYP19A1 (0.39) FBP1KDM4EMAPTHTT
SCHEMBL4642176 0.72 NAMPT (0.37) KDM4E
SCHEMBL1507946 0.72 HRH3 (0.47) SCN10AALDH1A1MAPTEP300
SCHEMBL2355210 0.68 CYP11B1 (0.54) FBP1
SCHEMBL2355207 0.68 CYP11B1 (0.54) FBP1
SCHEMBL2355214 0.68 CYP11B1 (0.54) FBP1
SCHEMBL14207014 0.62 ALDH1A1 (0.55) FBP1ALDH1A1ESR1PKMESR2
SCHEMBL2351745 0.62 CYP19A1 (0.65) KDM4E
SCHEMBL2349538 0.62 CYP19A1 (0.52) ESR1ESR2MAPT
SCHEMBL2349536 0.62 CYP19A1 (0.52) ESR1ESR2MAPT

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-1804805-A4 USE OF AROMATASE INHIBITORS FOR THE TREATMENT OF ECTOPIC PREGNANCY UNIV WAYNE STATE (US) 2008-08-13 EP disclosed
EP-1804805-A2 USE OF AROMATASE INHIBITORS FOR THE TREATMENT OF ECTOPIC PREGNANCY WAYNE STATE UNIVERSITY (US) 2007-07-11 EP disclosed
WO-2006041941-A2 USE OF AROMATASE INHIBITORS FOR THE TREATMENT OF ECTOPIC PREGNANCY 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