SCHEMBL7626419

SCHEMBL7626419

CCOC(=O)c1nn(-c2cccc(Cl)c2)c(=O)c2c1c1ccc(Cl)cc1n2C

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.58
ADORA1 P30542 1/20 0.58
ALDH1A1 P00352 1/20 0.54
MAPT P10636 5/20 0.51
APP P05067 2/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
CASP1 P29466 1/20 0.49
TP53 P04637 2/20 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
SCHEMBL7631555 0.95 TSPO (0.65) TSPOADORA1ALDH1A1MAPTAPP
SCHEMBL7626412 0.94 MAPT (0.55) TSPOADORA1ALDH1A1MAPTRXFP1
SCHEMBL7632526 0.94 TSPO (0.54) TSPOADORA1ALDH1A1MAPTAPP
SCHEMBL7001447 0.86 TSPO (0.62) TSPOALDH1A1MAPTTP53
SCHEMBL7626011 0.83 TSPO (0.64) TSPOMAPTSMN1; SMN2TP53
SCHEMBL5702445 0.81 TSPO (0.67) TSPOMAPTTP53
SCHEMBL7002472 0.81 TSPO (0.56) TSPOALDH1A1MAPTHPGDTSHR
SCHEMBL6999958 0.81 TSPO (0.54) TSPOALDH1A1MAPTHPGDALOX15
SCHEMBL7005121 0.80 MAPT (0.60) TSPOALDH1A1MAPTAPPTSHR
SCHEMBL6703839 0.80 SMN1; SMN2 (0.54) TSPOALDH1A1MAPTHPGDALOX15

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-6451795-B1 CENTRAL NEURODEGENERATIVE DISEASES SANOFI-SYNTHELABO (FR) 2002-09-17 US disclosed