SCHEMBL8936742

SCHEMBL8936742

Cn1nnc2ccc(Oc3ccc(C(=O)O)cc3Cn3cncn3)cc21

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.43
CYP19A1 P11511 5/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PPARG P37231 9/20 0.36
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP11B1 P15538 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL8936798 0.93 CYP19A1 (0.39) HCAR3CYP19A1MEN1KMT2AMAPK1
SCHEMBL8936768 0.89 CYP19A1 (0.37) CYP19A1MAPK1TDP1CYP11B1HPGD
SCHEMBL9204708 0.85 CYP19A1 (0.44) CYP19A1MEN1KMT2ACYP11B1
SCHEMBL9202290 0.85 CYP19A1 (0.39) CYP19A1CYP11B1
SCHEMBL8936723 0.85 CYP19A1 (0.39) CYP19A1CYP11B1
SCHEMBL9201287 0.85 CYP19A1 (0.39) CYP19A1MEN1KMT2ACYP11B1
SCHEMBL8936774 0.84 CYP19A1 (0.39) CYP19A1MEN1KMT2ACYP11B1HPGD
SCHEMBL8936729 0.83 CYP19A1 (0.41) CYP19A1MEN1KMT2AMAPK1CYP11B1
SCHEMBL8936751 0.83 CYP19A1 (0.40) CYP19A1TDP1CYP11B1
SCHEMBL8936685 0.82 CYP19A1 (0.37) CYP19A1CYP11B1

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