SCHEMBL7065294

SCHEMBL7065294

CCCCCNc1nccc(-c2ccc(Cl)cc2Cl)c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 6/20 0.46
CNR1 P21554 3/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
UTS2R Q9UKP6 2/20 0.39
HSD11B1 P28845 1/20 0.38
STK17A Q9UEE5 1/20 0.36
HCAR3 P49019 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL6817723 0.89 CRHR1 (0.38) CRHR1UTS2RMAPK1HTTSMN1; SMN2
SCHEMBL6819213 0.88 MEN1 (0.39) PIK3CAPIK3CBPIK3CGHTTSMN1; SMN2
SCHEMBL6814129 0.85 PRKCQ (0.38) CRHR1PIK3CAPIK3CBPIK3CGSTK17A
SCHEMBL6817813 0.84 PRKCQ (0.39) PIK3CAPIK3CBPIK3CGSTK17AHTT
SCHEMBL6817779 0.80 MAPT (0.43) HTTSMN1; SMN2
SCHEMBL6082337 0.79 CRHR1 (0.39) CRHR1PIK3CAPIK3CBPIK3CGUTS2R
SCHEMBL6814623 0.78 PIK3CA (0.39) CNR1PIK3CAPIK3CBPIK3CGHSD11B1
SCHEMBL6818033 0.77 MAPT (0.43) HTTSMN1; SMN2
SCHEMBL253175 0.77 L3MBTL1 (0.44) L3MBTL1UTS2RHCAR3MAPK1HTT
SCHEMBL6082104 0.77 PIK3CA (0.42) PIK3CAPIK3CBPIK3CGHSD11B1MAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004031189-A1 PYRIDINO AND PYRIMIDINO PYRAZINONES FOR TREATMENT OF ANXIETY AND DEPRESSION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2004-04-15 WO disclosed