SCHEMBL8936696

SCHEMBL8936696

Oc1ccc(Br)cc1Cn1cncn1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.51
TSHR P16473 2/20 0.49
GFER P55789 1/20 0.49
CYP19A1 P11511 4/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
PKM P14618 1/20 0.47
HIF1A Q16665 1/20 0.47
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC1 Q13547 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41

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
SCHEMBL8936736 0.81 CYP19A1 (0.53) BRD4CYP19A1ALDH1A1CYP3A4CYP2C9
SCHEMBL9202769 0.81 BRD4 (0.51) BRD4CYP19A1HDAC1HDAC6
SCHEMBL9202210 0.81 BRD4 (0.51) BRD4CYP19A1CYP3A4CYP2C9KDM4E
SCHEMBL31005994 0.81 CYP19A1 (0.44) BRD4CYP19A1HDAC1HDAC6
SCHEMBL305338 0.81 CYP19A1 (0.44) BRD4CYP19A1CYP3A4CYP2C9HDAC1
SCHEMBL4467805 0.80 CYP19A1 (0.42) BRD4CYP19A1HDAC1HDAC6
SCHEMBL8936757 0.78 BRD4 (0.48) BRD4CYP19A1CYP1A2CYP3A4CYP2C9
SCHEMBL9197402 0.78 CYP19A1 (0.56) BRD4TSHRCYP19A1ALDH1A1POLB
SCHEMBL307297 0.78 CYP19A1 (0.60) CYP19A1
SCHEMBL8936807 0.77 CYP19A1 (0.58) BRD4CYP19A1KDM4E

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