SCHEMBL8936774

SCHEMBL8936774

Cn1nnc2ccc(Oc3ccc(C=O)cc3Cn3cncn3)cc21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.39
ALDH1A1 P00352 6/20 0.37
RXFP1 Q9HBX9 2/20 0.36
CYP11B1 P15538 1/20 0.36
KDM4E B2RXH2 4/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 2/20 0.33
SCN9A Q15858 1/20 0.33

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 0.86 CYP19A1 (0.44) CYP19A1ALDH1A1CYP11B1KDM4ELMNA
SCHEMBL8936722 0.85 CYP19A1 (0.46) CYP19A1ALDH1A1CYP11B1MEN1KMT2A
SCHEMBL8936723 0.85 CYP19A1 (0.39) CYP19A1ALDH1A1CYP11B1KDM4EMAPT
SCHEMBL9201287 0.85 CYP19A1 (0.39) CYP19A1ALDH1A1CYP11B1KDM4EMAPT
SCHEMBL9202290 0.85 CYP19A1 (0.39) CYP19A1CYP11B1KDM4E
SCHEMBL8936729 0.84 CYP19A1 (0.41) CYP19A1ALDH1A1CYP11B1KDM4ELMNA
SCHEMBL8936798 0.84 CYP19A1 (0.39) CYP19A1ALDH1A1RXFP1CYP11B1LMNA
SCHEMBL8936742 0.84 HCAR3 (0.43) CYP19A1CYP11B1HPGDMEN1KMT2A
SCHEMBL9200301 0.84 CYP19A1 (0.38) CYP19A1ALDH1A1CYP11B1KDM4EMAPT
SCHEMBL8936751 0.83 CYP19A1 (0.40) CYP19A1CYP11B1KDM4ENPSR1SCN9A

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