SCHEMBL8936807

SCHEMBL8936807

Oc1ccccc1Cn1cncn1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 0.58
BRD4 O60885 1/20 0.56
MPO P05164 1/20 0.47
HSP90AA1 P07900 1/20 0.46
CYP2C19 P33261 1/20 0.45
KCNMA1 Q12791 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.43

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
SCHEMBL19566595 0.79 CYP19A1 (0.58) CYP19A1BRD4HSP90AA1MAPT
SCHEMBL17450350 0.79 CYP19A1 (0.58) CYP19A1BRD4HSP90AA1MAPT
SCHEMBL28206179 0.79 CYP19A1 (0.58) CYP19A1BRD4HSP90AA1MAPT
SCHEMBL4075410 0.79 CYP19A1 (0.58) CYP19A1BRD4HSP90AA1MAPT
SCHEMBL16446324 0.79 CYP19A1 (0.58) CYP19A1BRD4HSP90AA1MAPT
SCHEMBL15417618 0.79 CYP19A1 (0.58) CYP19A1BRD4HSP90AA1MAPT
SCHEMBL940881 0.79 CYP19A1 (0.62) CYP19A1BRD4HSP90AA1KDM4E
Hydrochloric Acid SCHEMBL11356117 0.77 CYP19A1 (0.61) CYP19A1BRD4HSP90AA1KDM4E
SCHEMBL8936736 0.77 CYP19A1 (0.53) CYP19A1BRD4HSP90AA1CYP2C19KCNMA1
SCHEMBL9202589 0.77 BRD4 (0.51) CYP19A1BRD4KDM4E

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