SCHEMBL8936723

SCHEMBL8936723

Cn1nnc2ccc(Oc3ccc(Br)cc3Cn3cncn3)cc21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.39
CYP11B1 P15538 2/20 0.37
SLC6A4 P31645 4/20 0.34
HTR2A P28223 1/20 0.34
KCNH2 Q12809 1/20 0.34
ALDH1A1 P00352 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
SCN9A Q15858 1/20 0.32
TSHR P16473 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
SCHEMBL9204708 0.89 CYP19A1 (0.44) CYP19A1CYP11B1SLC6A4HTR2AALDH1A1
SCHEMBL9201287 0.88 CYP19A1 (0.39) CYP19A1CYP11B1ALDH1A1MAPTSMN1; SMN2
SCHEMBL9202290 0.88 CYP19A1 (0.39) CYP19A1CYP11B1SLC6A4HTR2AKCNH2
SCHEMBL8936722 0.88 CYP19A1 (0.46) CYP19A1CYP11B1SLC6A4HTR2AKCNH2
SCHEMBL8936729 0.87 CYP19A1 (0.41) CYP19A1CYP11B1ALDH1A1MAPTSMN1; SMN2
SCHEMBL9200301 0.86 CYP19A1 (0.38) CYP19A1CYP11B1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8936774 0.85 CYP19A1 (0.39) CYP19A1CYP11B1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8936761 0.85 CYP19A1 (0.44) CYP19A1CYP11B1SLC6A4HTR2AKCNH2
SCHEMBL8936685 0.85 CYP19A1 (0.37) CYP19A1CYP11B1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8936780 0.85 KDM4E (0.38) CYP19A1CYP11B1SLC6A4HTR2AKCNH2

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