SCHEMBL2353207

SCHEMBL2353207

N#Cc1ccc(/C(=C/c2ccc(C(F)(F)F)cc2)Cn2cncn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 0.55
KIF11 P52732 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP3A5 P20815 1/20 0.37
VNN1 O95497 1/20 0.37
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PTGS1 P23219 1/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL2353211 1.00 CYP19A1 (0.55) CYP19A1KIF11SMN1; SMN2CYP3A4CYP3A5
SCHEMBL2353212 1.00 CYP19A1 (0.55) CYP19A1KIF11SMN1; SMN2CYP3A4CYP3A5
SCHEMBL2351748 0.91 CYP19A1 (0.65) CYP19A1SMN1; SMN2CYP3A4HPGDKDM4E
SCHEMBL2351752 0.91 CYP19A1 (0.65) CYP19A1SMN1; SMN2CYP3A4HPGDKDM4E
SCHEMBL2351745 0.91 CYP19A1 (0.65) CYP19A1SMN1; SMN2CYP3A4HPGDKDM4E
SCHEMBL9874507 0.87 CYP19A1 (0.53) CYP19A1SMN1; SMN2CYP3A4
SCHEMBL9874503 0.87 CYP19A1 (0.53) CYP19A1SMN1; SMN2CYP3A4
SCHEMBL2355438 0.85 CYP19A1 (0.58) CYP19A1HPGDKDM4E
SCHEMBL2355442 0.85 CYP19A1 (0.58) CYP19A1HPGDKDM4E
SCHEMBL2355437 0.85 CYP19A1 (0.58) CYP19A1HPGDKDM4E

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5583128-A ADMINISTERING A SIDE EFFECT REDUCED AROMATASE INHIBITOR CIBA-GEIGY CORPORATION (US) 1996-12-10 US claimed
US-5162337-A Administering Steroid Biosynthesis Inhibitors MERCK & CO., INC. (US) 1992-11-10 US claimed
US-4866086-A PHENYLTRIAZOLYL OLEFINIC AROMATASE INHIBITORS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-09-12 US claimed
EP-0299683-A2 Heterocyclic olefinic compounds and their use as aromatase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-01-18 EP claimed
US-20210109085-A1 METHODS FOR PREDICTING ER-MEDIATED DNA DAMAGE UNIVERSITY OF MASSACHUSETTS 2021-04-15 US disclosed
US-8871750-B2 Use of aromatase inhibitors for endometrial thinning in preparation for surgical procedures on the endometrial cavity and uterus WAYNE STATE UNIVERSITY (US) 2014-10-28 US disclosed
US-8008333-B2 Inducing ovulation; increasing response to follicle stimulating hormone ARES TRADING S.A. (CH) 2011-08-30 US disclosed
US-7846957-B2 Aromatase inhibition to enhance assisted reproduction ARES TRADING S.A. (CH) 2010-12-07 US disclosed
US-7820706-B2 Multiple dose aromatase inhibitor for treating infertility ARES TRADING S.A. (CH) 2010-10-26 US disclosed
EP-1898923-A4 AROMATASE INHIBITORS FOR EMERGENCY CONTRACEPTION CASPER ROBERT F (CA) 2009-05-20 EP disclosed
EP-1804805-A4 USE OF AROMATASE INHIBITORS FOR THE TREATMENT OF ECTOPIC PREGNANCY UNIV WAYNE STATE (US) 2008-08-13 EP disclosed
EP-1898923-A1 AROMATASE INHIBITORS FOR EMERGENCY CONTRACEPTION Casper, Robert F. (CA) 2008-03-19 EP disclosed
EP-1383578-A1 SINGLE DOSE AROMATASE INHIBITOR FOR TREATING INFERTILITY ARES TRADING S.A. (CH) 2004-01-28 EP disclosed
WO-2003082336-A1 FEMALE BIRTH CONTROL METHOD JENCAP RESEARCH LTD. (CA) 2003-10-09 WO disclosed
WO-2002083241-A1 SINGLE DOSE AROMATASE INHIBITOR FOR TREATING INFERTILITY ARES TRADING S.A. (CH) 2002-10-24 WO disclosed
US-5583128-A ADMINISTERING A SIDE EFFECT REDUCED AROMATASE INHIBITOR CIBA-GEIGY CORPORATION (US) 1996-12-10 US disclosed
US-5162337-A Administering Steroid Biosynthesis Inhibitors MERCK & CO., INC. (US) 1992-11-10 US disclosed
EP-0479570-A2 Animal growth promotion with aromatase inhibitors MERCK & CO. INC. (US) 1992-04-08 EP disclosed
US-5032607-A Enzyme inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-07-16 US disclosed
US-4866086-A PHENYLTRIAZOLYL OLEFINIC AROMATASE INHIBITORS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-09-12 US disclosed