SCHEMBL9701292

SCHEMBL9701292

CSc1ccc(CNc2ccc(Cl)cc2[N+](=O)[O-])cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.74
L3MBTL1 Q9Y468 3/20 0.74
TDP1 Q9NUW8 1/20 0.74
TRPV1 Q8NER1 1/20 0.60
ALDH1A1 P00352 5/20 0.54
NPSR1 Q6W5P4 1/20 0.54
CYP1A2 P05177 3/20 0.52
CYP2C19 P33261 3/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
CYP2C9 P11712 2/20 0.52
RECQL P46063 1/20 0.52
RAB9A P51151 1/20 0.52
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 1/20 0.49
HTR6 P50406 1/20 0.47
HPGD P15428 2/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL9683242 0.88 MAPT (0.84) MAPTL3MBTL1TDP1ALDH1A1NPSR1
SCHEMBL9681404 0.85 MAPT (0.56) MAPTL3MBTL1TDP1TRPV1ALDH1A1
SCHEMBL9682067 0.83 MAPT (0.76) MAPTL3MBTL1TDP1ALDH1A1NPSR1
SCHEMBL2465858 0.82 MAPT (0.75) MAPTL3MBTL1TDP1ALDH1A1NPSR1
SCHEMBL9681394 0.82 MAPT (0.74) MAPTL3MBTL1TDP1ALDH1A1NPSR1
SCHEMBL9681781 0.80 MAPT (0.71) MAPTL3MBTL1TDP1ALDH1A1NPSR1
SCHEMBL9683104 0.80 MAPT (0.55) MAPTL3MBTL1TDP1ALDH1A1CYP1A2
SCHEMBL5361493 0.79 MAPT (0.70) MAPTL3MBTL1TDP1ALDH1A1NPSR1
SCHEMBL9683229 0.79 MAPT (0.47) MAPTL3MBTL1TDP1TRPV1ALDH1A1
SCHEMBL9682260 0.77 MAPT (0.67) MAPTL3MBTL1TDP1ALDH1A1NPSR1

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
US-5124336-A Cardiovascular disorders LABORATOIRES UPSA (FR) 1992-06-23 US disclosed