SCHEMBL8936735

SCHEMBL8936735

Nc1cc(Oc2ccc(Cl)cc2Cn2cncn2)ccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.45
PKM P14618 1/20 0.41
MAPT P10636 3/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 3/20 0.39
CCR1 P32246 1/20 0.39
CCR2 P41597 1/20 0.39
CCR4 P51679 1/20 0.39
SCN9A Q15858 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP19A1 P11511 3/20 0.36
STS P08842 1/20 0.36
TTR P02766 1/20 0.35
ALB P02768 1/20 0.35
THRB P10828 1/20 0.35
MAPK1 P28482 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
SCHEMBL8936771 0.86 TDP1 (0.41) PDE7APKMMAPTLMNATDP1
SCHEMBL8936749 0.85 CYP19A1 (0.40) MAPTALDH1A1LMNATDP1CCR1
SCHEMBL8936766 0.84 MAPT (0.41) PDE7APKMMAPTALDH1A1LMNA
SCHEMBL9201309 0.78 CCR1 (0.45) PKMMAPTLMNATDP1CCR1
SCHEMBL8936797 0.78 HTR2A (0.41) MAPTALDH1A1TDP1CCR1CCR2
SCHEMBL8936701 0.77 CCR1 (0.39) MAPTALDH1A1TDP1CCR1CCR2
SCHEMBL7450404 0.76 CCR1 (0.51) PDE7APKMMAPTALDH1A1CCR1
SCHEMBL11014622 0.76 PDE7A (0.74) PDE7AMAPTALDH1A1LMNATDP1
SCHEMBL9196269 0.75 CYP19A1 (0.43) PKMMAPTALDH1A1SCN9AMEN1
SCHEMBL10882415 0.75 TDP1 (0.62) PDE7AMAPTALDH1A1LMNATDP1

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