SCHEMBL3274982

SCHEMBL3274982

Clc1ccc(C(c2ccc(Cl)cc2)c2cncnc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 12/20 1.00
TSHR P16473 2/20 0.39
MAPK1 P28482 2/20 0.39
HIF1A Q16665 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
CFTR P13569 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
GOPC Q9HD26 1/20 0.39
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
ADRB2 P07550 1/20 0.38

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
SCHEMBL8176557 0.92 CYP19A1 (0.85) CYP19A1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL8700549 0.80 CYP19A1 (0.66) CYP19A1TSHRMAPK1HIF1ATDP1
SCHEMBL4088048 0.80 CYP19A1 (0.70) CYP19A1TSHRMAPK1HIF1ATDP1
SCHEMBL2912058 0.78 CYP19A1 (0.64) CYP19A1HPGD
SCHEMBL2912464 0.78 CYP19A1 (0.64) CYP19A1TSHRMAPK1HIF1ATDP1
Hydrochloric Acid SCHEMBL7782034 0.77 CYP19A1 (0.67) CYP19A1TSHRMAPK1HIF1ATDP1
SCHEMBL10674497 0.77 CYP19A1 (1.00) CYP19A1CFTRSLC6A2SLC6A4SLC6A3
Bromide SCHEMBL5873324 0.77 CYP19A1 (0.62) CYP19A1TSHRMAPK1HIF1ATDP1
SCHEMBL8028167 0.76 SLC6A2 (0.64) CYP19A1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL11538836 0.76 CYP19A1 (1.00) CYP19A1TSHRMAPK1HIF1ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0516278-A1 Use of anti-mullerian hormone for reversal of female sexual phenotype in poultry MERCK & CO. INC. (US) 1992-12-02 EP claimed
EP-0514015-A1 Control of sex differentiation in fish MERCK & CO. INC. (US) 1992-11-19 EP claimed
US-5162337-A Administering Steroid Biosynthesis Inhibitors MERCK & CO., INC. (US) 1992-11-10 US claimed
EP-0479570-A2 Animal growth promotion with aromatase inhibitors MERCK & CO. INC. (US) 1992-04-08 EP claimed
EP-0433084-A2 Use of aromatese inhibitors for the reversal of female sexual phenotype in poultry MERCK & CO. INC. (US) 1991-06-19 EP claimed
US-4762836-A PYRIMIDINE DERIVATIVES, TREATMENT OF BREAST CANCER ELI LILLY AND COMPANY (US) 1988-08-09 US claimed
EP-0116431-B1 AROMATASE INHIBITING PYRIMIDINE DERIVATIVES ELI LILLY AND COMPANY (US) 1987-06-10 EP claimed
EP-0116431-A1 Aromatase inhibiting pyrimidine derivatives ELI LILLY AND COMPANY (US) 1984-08-22 EP claimed
US-20140080794-A1 Methods and Compositions for the Treatment of Estrogen-Dependent Hyperproliferative Uterine Disorders VIVUS INC (US) 2014-03-20 US disclosed
US-20100087402-A1 Methods and compositions for the treatment of estrogen-dependent hyperproliferative uterine disorders VIVUS, INC. (US) 2010-04-08 US disclosed
EP-0516278-A1 Use of anti-mullerian hormone for reversal of female sexual phenotype in poultry MERCK & CO. INC. (US) 1992-12-02 EP disclosed
EP-0514015-A1 Control of sex differentiation in fish MERCK & CO. INC. (US) 1992-11-19 EP 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
EP-0433084-A2 Use of aromatese inhibitors for the reversal of female sexual phenotype in poultry MERCK & CO. INC. (US) 1991-06-19 EP disclosed
US-4762836-A PYRIMIDINE DERIVATIVES, TREATMENT OF BREAST CANCER ELI LILLY AND COMPANY (US) 1988-08-09 US disclosed
EP-0116431-B1 AROMATASE INHIBITING PYRIMIDINE DERIVATIVES ELI LILLY AND COMPANY (US) 1987-06-10 EP disclosed
EP-0116431-A1 Aromatase inhibiting pyrimidine derivatives ELI LILLY AND COMPANY (US) 1984-08-22 EP disclosed