SCHEMBL7626412

SCHEMBL7626412

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

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
TSPO P30536 1/20 0.54
TP53 P04637 6/20 0.53
ADORA1 P30542 1/20 0.52
GAA P10253 2/20 0.50
RAB9A P51151 1/20 0.50
POLB P06746 2/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.48
RXFP1 Q9HBX9 1/20 0.47
NPSR1 Q6W5P4 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
SCHEMBL7626419 0.94 TSPO (0.58) MAPTTSPOTP53ADORA1ALDH1A1
SCHEMBL7631555 0.91 TSPO (0.65) MAPTTSPOADORA1KDM4EALDH1A1
SCHEMBL7632526 0.90 TSPO (0.54) MAPTTSPOTP53ADORA1POLB
SCHEMBL7002472 0.88 TSPO (0.56) MAPTTSPOTP53GAAPOLB
SCHEMBL7005121 0.87 MAPT (0.60) MAPTTSPOTP53GAAPOLB
SCHEMBL7001447 0.80 TSPO (0.62) MAPTTSPOTP53POLBKDM4E
SCHEMBL5702445 0.78 TSPO (0.67) MAPTTSPOTP53POLB
SCHEMBL7626011 0.78 TSPO (0.64) MAPTTSPOTP53
SCHEMBL7001998 0.76 TSPO (0.57) MAPTTSPOTP53POLBKDM4E
SCHEMBL3922114 0.75 KMT2A (0.46) MAPTTSPOADORA1GAAPOLB

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