SCHEMBL8936690

SCHEMBL8936690

CNc1cc(Oc2ccc(Cl)cc2Cn2ccnc2)ccc1N

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP19A1 P11511 6/20 0.44
GAA P10253 1/20 0.43
GFER P55789 1/20 0.43
FNTA P49354 4/20 0.43
FNTB P49356 4/20 0.43
PGGT1B P53609 4/20 0.43
HTR2A P28223 3/20 0.41
SLC6A4 P31645 3/20 0.41
KCNH2 Q12809 3/20 0.41
TBXAS1 P24557 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
CYP2B6 P20813 1/20 0.40

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
SCHEMBL8936726 0.84 ALDH1A1 (0.47) MEN1KMT2ACYP19A1GAAGFER
SCHEMBL8936797 0.82 HTR2A (0.41) MEN1KMT2ACYP19A1HTR2ASLC6A4
SCHEMBL9194951 0.78 FNTA (0.56) MEN1KMT2ACYP19A1FNTAFNTB
SCHEMBL8936783 0.75 MEN1 (0.44) MEN1KMT2ACYP19A1FNTAFNTB
SCHEMBL10697972 0.72 CYP11B1 (0.56) CYP19A1TBXAS1ALDH1A1CYP2A6CYP11B1
SCHEMBL8936701 0.72 CCR1 (0.39) KMT2ACYP19A1HTR2ASLC6A4KCNH2
SCHEMBL5306950 0.71 CYP11B1 (0.58) CYP19A1TBXAS1CYP2A6CYP11B1CYP11B2
SCHEMBL11705194 0.70 CYP19A1 (0.80) MEN1KMT2ACYP19A1FNTAFNTB
SCHEMBL8936697 0.69 SLC6A4 (0.39) CYP19A1HTR2ASLC6A4KCNH2ALDH1A1
SCHEMBL23292651 0.69 CYP19A1 (0.57) CYP19A1ALDH1A1CYP11B1CYP11B2

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