SCHEMBL8936766

SCHEMBL8936766

CCNc1cc(Oc2ccc(Cl)cc2Cn2cncn2)ccc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 3/20 0.40
PKM P14618 2/20 0.40
CCR1 P32246 1/20 0.40
CCR2 P41597 1/20 0.40
CCR4 P51679 1/20 0.40
SCN9A Q15858 1/20 0.38
ALPG P10696 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PDE7A Q13946 1/20 0.37
MAPK1 P28482 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.36
DCTPP1 Q9H773 1/20 0.35
POLB P06746 1/20 0.35
CYP19A1 P11511 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR2A P28223 1/20 0.34
SLC6A4 P31645 1/20 0.34

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 0.91 TDP1 (0.41) MAPTLMNATDP1PKMCCR1
SCHEMBL8936735 0.84 PDE7A (0.45) MAPTLMNATDP1PKMCCR1
SCHEMBL8936701 0.84 CCR1 (0.39) MAPTTDP1CCR1CCR2CCR4
SCHEMBL9201309 0.84 CCR1 (0.45) MAPTLMNATDP1PKMCCR1
SCHEMBL9196269 0.81 CYP19A1 (0.43) MAPTPKMSCN9ASMN1; SMN2ALDH1A1
SCHEMBL9198771 0.80 PKM (0.41) MAPTLMNAPKMSCN9ACYP19A1
SCHEMBL8936755 0.80 PKM (0.41) MAPTLMNATDP1PKMSCN9A
SCHEMBL9201983 0.80 PKM (0.41) MAPTTDP1PKMCCR1CCR2
SCHEMBL8936748 0.79 PKM (0.41) MAPTPKMSCN9AALDH1A1POLB
SCHEMBL9202877 0.79 PKM (0.40) PKMSCN9ACYP19A1SLC6A4

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