SCHEMBL8936780

SCHEMBL8936780

Cn1nnc2ccc(Oc3ccc(C(F)(F)F)cc3Cn3cncn3)cc21

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP19A1 P11511 6/20 0.37
SLC6A4 P31645 3/20 0.37
HTR2A P28223 2/20 0.37
KCNH2 Q12809 2/20 0.37
CYP11B1 P15538 1/20 0.36
SCN9A Q15858 8/20 0.35
LRRK2 Q5S007 1/20 0.33

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
SCHEMBL9200301 0.90 CYP19A1 (0.38) KDM4ECYP19A1CYP11B1SCN9A
SCHEMBL9202290 0.87 CYP19A1 (0.39) KDM4ECYP19A1SLC6A4HTR2AKCNH2
SCHEMBL9204708 0.86 CYP19A1 (0.44) KDM4ECYP19A1SLC6A4HTR2ACYP11B1
SCHEMBL8936722 0.85 CYP19A1 (0.46) CYP19A1SLC6A4HTR2AKCNH2CYP11B1
SCHEMBL9201287 0.85 CYP19A1 (0.39) KDM4ECYP19A1CYP11B1SCN9A
SCHEMBL8936723 0.85 CYP19A1 (0.39) KDM4ECYP19A1SLC6A4HTR2AKCNH2
SCHEMBL8936729 0.84 CYP19A1 (0.41) KDM4ECYP19A1CYP11B1
SCHEMBL8936761 0.83 CYP19A1 (0.44) CYP19A1SLC6A4HTR2AKCNH2CYP11B1
SCHEMBL8936774 0.83 CYP19A1 (0.39) KDM4ECYP19A1CYP11B1SCN9A
SCHEMBL8936685 0.83 CYP19A1 (0.37) KDM4ECYP19A1CYP11B1SCN9A

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 2 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