SCHEMBL9634666

SCHEMBL9634666

c1ccc2c(c1)CCc1ccccc1C2n1ccnc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.67
TBXAS1 P24557 1/20 0.46
CYP11B2 P19099 3/20 0.43
CYP11B1 P15538 1/20 0.43
PRCP P42785 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP17A1 P05093 2/20 0.39
RECQL P46063 1/20 0.38
RET P07949 1/20 0.38
HTR2A P28223 1/20 0.38
TAOK1 Q7L7X3 1/20 0.36
TAOK3 Q9H2K8 1/20 0.36

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
SCHEMBL11146389 0.87 CYP19A1 (0.52) CYP19A1TBXAS1CYP11B2CYP11B1CYP2D6
SCHEMBL11144114 0.87 CYP2D6 (0.57) CYP19A1TBXAS1CYP11B2CYP11B1PRCP
SCHEMBL11559534 0.82 CYP19A1 (0.56) CYP19A1TBXAS1CYP11B2HTR2A
Eberconazole SCHEMBL353703 0.81 CYP19A1 (0.46) CYP19A1TBXAS1CYP11B2CYP11B1PRCP
SCHEMBL13475616 0.81 CYP19A1 (0.55) CYP19A1TBXAS1CYP11B2CYP11B1CYP17A1
SCHEMBL11557214 0.81 CYP19A1 (0.55) CYP19A1TBXAS1CYP11B2CYP11B1CYP17A1
SCHEMBL9633309 0.80 CYP19A1 (1.00) CYP19A1TBXAS1CYP11B2CYP11B1CYP2D6
SCHEMBL966690 0.80 CYP17A1 (0.59) CYP19A1TBXAS1CYP11B2CYP11B1CYP17A1
SCHEMBL10699853 0.78 CYP19A1 (0.66) CYP19A1TBXAS1CYP2D6CYP17A1TAOK1
SCHEMBL9367361 0.77 CYP19A1 (0.69) CYP19A1TBXAS1CYP11B2CYP11B1CYP2D6

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 12 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
WO-1992018132-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA COMTAINING A 5 ALPHA-REDUCTASE INHIBITOR MERCK & CO., INC. (US) 1992-10-29 WO 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-4757082-A Administering imidazole or triazole derivatives ELI LILLY AND COMPANY (US) 1988-07-12 US claimed
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