SCHEMBL9265476

SCHEMBL9265476

CC(C)(C)C1CCC(=C(c2ccc(C#N)cc2)n2ccnc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 0.50
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
GPR119 Q8TDV5 1/20 0.34
TBXAS1 P24557 1/20 0.33
LMNA P02545 1/20 0.32
GCGR P47871 1/20 0.32
ITK Q08881 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL9192784 0.87 CYP19A1 (0.53) CYP19A1CYP11B1CYP11B2TBXAS1LMNA
SCHEMBL9192916 0.83 CYP19A1 (0.59) CYP19A1CYP11B1CYP11B2TBXAS1LMNA
SCHEMBL9196678 0.83 CYP19A1 (0.59) CYP19A1CYP11B1CYP11B2TBXAS1LMNA
SCHEMBL9266594 0.82 CYP19A1 (0.61) CYP19A1CYP11B1CYP11B2TBXAS1LMNA
SCHEMBL9267605 0.82 CYP19A1 (0.61) CYP19A1CYP11B1CYP11B2TBXAS1LMNA
SCHEMBL9194268 0.82 CYP19A1 (0.61) CYP19A1CYP11B1CYP11B2TBXAS1LMNA
SCHEMBL9192364 0.82 CYP19A1 (0.61) CYP19A1CYP11B1CYP11B2TBXAS1LMNA
SCHEMBL9194557 0.82 CYP19A1 (0.61) CYP19A1CYP11B1CYP11B2TBXAS1LMNA
Hydrochloric Acid SCHEMBL9316765 0.81 CYP19A1 (0.60) CYP19A1CYP11B1CYP11B2TBXAS1LMNA
SCHEMBL9190773 0.80 CYP19A1 (0.56) CYP19A1CYP11B1CYP11B2GPR119TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0411735-B1 Cycloalkylenazoles, process for their preparation, pharmaceutical preparations containing them and their use for the preparation of medicines SCHERING AG (DE) 1995-05-17 EP claimed
US-5411982-A Cycloalkylene azoles, and their use as aromatase inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 1995-05-02 US claimed
US-5411982-A Cycloalkylene azoles, and their use as aromatase inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 1995-05-02 US disclosed
US-5280035-A Cycloalkylene azoles and their use as aromatase inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 1994-01-18 US disclosed
US-5135937-A Aromatase inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 1992-08-04 US disclosed