SCHEMBL6817779

SCHEMBL6817779

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.43
LMNA P02545 2/20 0.40
S1PR4 O95977 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
ALPG P10696 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 2/20 0.37
ALDH1A1 P00352 4/20 0.36
PDE5A O76074 1/20 0.36
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HPGD P15428 1/20 0.36
HTR1A P08908 2/20 0.35
ADRA1D P25100 2/20 0.35
ADRA1A P35348 2/20 0.35
ADRA1B P35368 2/20 0.35
KDM4E B2RXH2 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
SCHEMBL6819213 0.92 MEN1 (0.39) MAPTLMNAS1PR4SMN1; SMN2ALPG
SCHEMBL6817723 0.90 CRHR1 (0.38) MAPTLMNAS1PR4SMN1; SMN2ALPG
SCHEMBL6818521 0.89 MAPT (0.44) MAPTLMNASMN1; SMN2ALPGTDP1
SCHEMBL6818033 0.87 MAPT (0.43) MAPTLMNASMN1; SMN2TDP1NPC1
SCHEMBL6817921 0.85 MAPT (0.36) MAPTLMNAS1PR4SMN1; SMN2ALPG
SCHEMBL6818822 0.85 MAPT (0.39) MAPTLMNASMN1; SMN2ALDH1A1PDE5A
SCHEMBL6817700 0.84 MAPT (0.35) MAPTLMNAS1PR4SMN1; SMN2ALPG
SCHEMBL6817889 0.83 MAPT (0.40) MAPTLMNAS1PR4SMN1; SMN2NPC1
SCHEMBL6818369 0.82 S1PR4 (0.37) MAPTLMNAS1PR4SMN1; SMN2ALPG
SCHEMBL6081726 0.82 S1PR4 (0.39) MAPTLMNAS1PR4SMN1; SMN2ALPG

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