SCHEMBL8936726

SCHEMBL8936726

CNc1cc(Oc2ccc(Cl)cc2Cn2ccnc2)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
CYP19A1 P11511 7/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.40
GFER P55789 1/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
PGGT1B P53609 1/20 0.40
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39

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
SCHEMBL8936690 0.84 MEN1 (0.47) ALDH1A1CYP19A1MEN1KMT2AGAA
SCHEMBL8936771 0.83 TDP1 (0.41) CYP19A1MEN1KMT2ALMNATDP1
SCHEMBL9201309 0.76 CCR1 (0.45) CYP19A1LMNATDP1
SCHEMBL10581105 0.75 ALDH1A1 (0.63) ALDH1A1CYP19A1KMT2ALMNASMN1; SMN2
SCHEMBL9194951 0.75 FNTA (0.56) CYP19A1MEN1KMT2ALMNAFNTA
SCHEMBL8936766 0.75 MAPT (0.41) ALDH1A1CYP19A1KMT2ALMNASMN1; SMN2
SCHEMBL5925434 0.73 ALDH1A1 (0.47) ALDH1A1CYP19A1MEN1KMT2ALMNA
SCHEMBL9196269 0.73 CYP19A1 (0.43) ALDH1A1CYP19A1MEN1KMT2ASMN1; SMN2
SCHEMBL8936755 0.72 PKM (0.41) ALDH1A1CYP19A1MEN1KMT2ALMNA
SCHEMBL9198771 0.72 PKM (0.41) CYP19A1LMNAKDM4E

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