SCHEMBL8936715

SCHEMBL8936715

Oc1ccc(Cl)cc1Cn1ccnc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.58
CYP19A1 P11511 5/20 0.58
CYP11B2 P19099 4/20 0.58
CYP2A6 P11509 1/20 0.58
CYP2B6 P20813 1/20 0.58
TBXAS1 P24557 3/20 0.57
IDO1 P14902 2/20 0.53
MAPT P10636 3/20 0.52
BRD4 O60885 2/20 0.52
LMNA P02545 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
POLB P06746 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ADRA2C P18825 1/20 0.49
CYP3A4 P08684 2/20 0.49
MEN1 O00255 1/20 0.49
SLC22A1 O15245 1/20 0.49
USP2 O75604 1/20 0.49
HSP90AA1 P07900 1/20 0.49

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
SCHEMBL28198916 0.84 CYP19A1 (0.62) CYP11B1CYP19A1CYP11B2CYP2A6CYP2B6
SCHEMBL30474205 0.83 CYP11B1 (0.57) CYP11B1CYP19A1CYP11B2CYP2A6CYP2B6
SCHEMBL24500044 0.81 CYP19A1 (0.58) CYP11B1CYP19A1CYP11B2CYP2A6CYP2B6
SCHEMBL5592277 0.81 CYP11B1 (0.57) CYP11B1CYP19A1CYP11B2MAPTBRD4
SCHEMBL10945622 0.81 CYP11B1 (0.57) CYP11B1CYP19A1CYP11B2TBXAS1MAPT
SCHEMBL9748629 0.81 CYP19A1 (0.62) CYP11B1CYP19A1CYP11B2CYP2A6CYP2B6
SCHEMBL2508166 0.80 BRD4 (0.51) CYP11B1CYP19A1CYP11B2TBXAS1MAPT
SCHEMBL2508169 0.80 BRD4 (0.51) CYP11B1CYP19A1CYP11B2TBXAS1MAPT
SCHEMBL2509182 0.79 BRD4 (0.50) CYP11B1CYP19A1CYP11B2TBXAS1MAPT
SCHEMBL2509183 0.79 BRD4 (0.50) CYP11B1CYP19A1CYP11B2TBXAS1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5587392-A THERAPY FOR ESTROGEN DEPENDENT DISEASES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1996-12-24 US disclosed
EP-0684235-A1 Novel azolyl methyl phenyl derivatives having aromatase inhibitory activity MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1995-11-29 EP disclosed
US-4555516-A FOR TREATMENT OF CARDIOVASCULAR DISORDERS PFIZER INC. (US) 1985-11-26 US disclosed
US-4448781-A CARDIOVASCULAR DISORDERS PFIZER INC. (US) 1984-05-15 US disclosed