SCHEMBL8936751

SCHEMBL8936751

Cn1nnc2ccc(Oc3ccc([N+](=O)[O-])cc3Cn3cncn3)cc21

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.40
NSD2 O96028 2/20 0.39
PKM P14618 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
SCN9A Q15858 1/20 0.35
ATM Q13315 1/20 0.35
CYP11B1 P15538 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
SCHEMBL9204708 0.85 CYP19A1 (0.44) CYP19A1KDM4ESCN9ACYP11B1
SCHEMBL9201287 0.84 CYP19A1 (0.39) CYP19A1KDM4ESCN9ACYP11B1
SCHEMBL8936723 0.84 CYP19A1 (0.39) CYP19A1KDM4ESCN9ACYP11B1
SCHEMBL9202290 0.84 CYP19A1 (0.39) CYP19A1KDM4ECYP11B1
SCHEMBL8936774 0.83 CYP19A1 (0.39) CYP19A1NPSR1KDM4ESCN9ACYP11B1
SCHEMBL8936729 0.83 CYP19A1 (0.41) CYP19A1KDM4ECYP11B1
SCHEMBL8936742 0.83 HCAR3 (0.43) CYP19A1TDP1CYP11B1
SCHEMBL8936798 0.83 CYP19A1 (0.39) CYP19A1L3MBTL1TDP1CYP11B1
SCHEMBL8936780 0.81 KDM4E (0.38) CYP19A1KDM4ESCN9ACYP11B1
SCHEMBL8936761 0.81 CYP19A1 (0.44) CYP19A1SCN9ACYP11B1

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