SCHEMBL8936697

SCHEMBL8936697

CNc1cc(Oc2ccc(Br)cc2Cn2cncn2)ccc1N

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.39
HTR2A P28223 2/20 0.39
KCNH2 Q12809 2/20 0.39
HRH3 Q9Y5N1 1/20 0.37
CYP19A1 P11511 7/20 0.35
SCN9A Q15858 1/20 0.34
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
STS P08842 3/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL8936797 0.88 HTR2A (0.41) SLC6A4HTR2AKCNH2CYP19A1SCN9A
SCHEMBL8936779 0.85 SLC6A4 (0.42) SLC6A4HTR2AKCNH2CYP19A1SCN9A
SCHEMBL8936755 0.84 PKM (0.41) SLC6A4HTR2AKCNH2HRH3CYP19A1
SCHEMBL8936701 0.78 CCR1 (0.39) SLC6A4HTR2AKCNH2CYP19A1SCN9A
SCHEMBL31005994 0.76 CYP19A1 (0.44) CYP19A1STS
SCHEMBL8936723 0.75 CYP19A1 (0.39) SLC6A4HTR2AKCNH2HRH3CYP19A1
SCHEMBL8936749 0.74 CYP19A1 (0.40) SLC6A4HTR2AKCNH2CYP19A1SCN9A
SCHEMBL9196269 0.73 CYP19A1 (0.43) SLC6A4HTR2ACYP19A1SCN9AMAPT
SCHEMBL8936771 0.72 TDP1 (0.41) SLC6A4HTR2AKCNH2CYP19A1SCN9A
SCHEMBL9201983 0.72 PKM (0.41) CYP19A1SCN9AMAPTALDH1A1

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