SCHEMBL8936685

SCHEMBL8936685

C#Cc1ccc(Oc2ccc3nnn(C)c3c2)c(Cn2cncn2)c1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 14/20 0.37
CYP11B1 P15538 2/20 0.36
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SCN9A Q15858 1/20 0.33
STS P08842 2/20 0.32
KDM4E B2RXH2 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL8936761 0.91 CYP19A1 (0.44) CYP19A1CYP11B1SCN9ASTS
SCHEMBL9201287 0.87 CYP19A1 (0.39) CYP19A1CYP11B1ALDH1A1MAPTSMN1; SMN2
SCHEMBL9204708 0.86 CYP19A1 (0.44) CYP19A1CYP11B1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8936722 0.85 CYP19A1 (0.46) CYP19A1CYP11B1ALDH1A1SCN9A
SCHEMBL9202290 0.85 CYP19A1 (0.39) CYP19A1CYP11B1KDM4E
SCHEMBL8936723 0.85 CYP19A1 (0.39) CYP19A1CYP11B1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8936729 0.84 CYP19A1 (0.41) CYP19A1CYP11B1ALDH1A1MAPTSMN1; SMN2
SCHEMBL9200301 0.84 CYP19A1 (0.38) CYP19A1CYP11B1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8936774 0.83 CYP19A1 (0.39) CYP19A1CYP11B1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8936780 0.83 KDM4E (0.38) CYP19A1CYP11B1SCN9AKDM4E

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