SCHEMBL6819213

SCHEMBL6819213

COCCCCNc1nccc(-c2ccc(Cl)cc2Cl)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
ALPL P05186 1/20 0.39
ROS1 P08922 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
LMNA P02545 3/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 5/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALPG P10696 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
S1PR4 O95977 2/20 0.36
EIF2AK2 P19525 1/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 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
SCHEMBL6817779 0.92 MAPT (0.43) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL6818033 0.88 MAPT (0.43) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL7065294 0.88 CRHR1 (0.46) PIK3CAPIK3CBPIK3CGSMN1; SMN2HTT
SCHEMBL6818822 0.84 MAPT (0.39) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL6817889 0.83 MAPT (0.40) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL6814158 0.83 ALDH1A1 (0.33) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL6814129 0.82 PRKCQ (0.38) MEN1KMT2APIK3CAPIK3CBPIK3CG
SCHEMBL6818521 0.82 MAPT (0.44) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL6817723 0.82 CRHR1 (0.38) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL6817813 0.81 PRKCQ (0.39) MEN1KMT2APIK3CAPIK3CBPIK3CG

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