SCHEMBL8936749

SCHEMBL8936749

Nc1ccc(Oc2ccc(Cl)cc2Cn2cncn2)cc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.40
CCR1 P32246 1/20 0.39
CCR2 P41597 1/20 0.39
CCR4 P51679 1/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SCN9A Q15858 1/20 0.39
STS P08842 1/20 0.38
HTR2A P28223 3/20 0.38
SLC6A4 P31645 3/20 0.38
KCNH2 Q12809 3/20 0.38

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
SCHEMBL8936797 0.87 HTR2A (0.41) CYP19A1CCR1CCR2CCR4MAPT
SCHEMBL8936735 0.85 PDE7A (0.45) CYP19A1CCR1CCR2CCR4MAPT
SCHEMBL8936701 0.85 CCR1 (0.39) CYP19A1CCR1CCR2CCR4MAPT
SCHEMBL8936782 0.80 CYP19A1 (0.40) CYP19A1CCR1CCR2CCR4MAPT
SCHEMBL8936753 0.78 CYP19A1 (0.41) CYP19A1CCR1CCR2CCR4MAPT
SCHEMBL8936694 0.78 CYP19A1 (0.41) CYP19A1CCR1CCR2CCR4MEN1
SCHEMBL8936722 0.78 CYP19A1 (0.46) CYP19A1CCR1CCR2CCR4MEN1
SCHEMBL8936764 0.78 NLRP3 (0.40) CYP19A1CCR1CCR2CCR4MEN1
SCHEMBL8936805 0.76 CCR1 (0.38) CYP19A1CCR1CCR2CCR4MAPT
SCHEMBL8936731 0.76 NLRP3 (0.39) CYP19A1CCR1CCR2CCR4SCN9A

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