SCHEMBL7750489

SCHEMBL7750489

COC(=O)c1nn(-c2ccccc2)c(=O)c2c1c1cc(Cl)ccc1n2C

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.53
POLB P06746 3/20 0.53
TSPO P30536 1/20 0.52
MAPT P10636 7/20 0.51
KMT2A Q03164 1/20 0.51
MAPK1 P28482 1/20 0.50
GAA P10253 2/20 0.49
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
PTK2B Q14289 1/20 0.48
TDP1 Q9NUW8 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
SCHEMBL7498096 0.89 TSPO (0.56) TP53POLBTSPOMAPTKMT2A
SCHEMBL7493872 0.82 TSPO (0.63) TP53TSPOMAPT
SCHEMBL7631555 0.81 TSPO (0.65) TSPOMAPTKMT2AKDM4EALDH1A1
SCHEMBL5702445 0.81 TSPO (0.67) TP53POLBTSPOMAPT
SCHEMBL7750398 0.80 TSPO (0.69) TSPO
SCHEMBL7496967 0.78 TSPO (0.60) TSPO
SCHEMBL7003823 0.77 TSPO (0.71) TP53POLBTSPOMAPTKDM4E
SCHEMBL7001447 0.77 TSPO (0.62) TP53POLBTSPOMAPTKDM4E
SCHEMBL16135917 0.77 KDM4E (0.63) TP53POLBTSPOMAPTKMT2A
SCHEMBL7626419 0.76 TSPO (0.58) TP53TSPOMAPTKMT2AALDH1A1

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-6262045-B1 TREATMENT OF ANXIETY; SLEEP DISORDER; EPILEPSY; SPASTICITY; MUSCLE CONTRACTURE OR AN EXTRAPYRAMIDAL SYNDROM; INDUCING OR MAINTAINING ANAESTHESIA SANOFI-SYNTHELABO (FR) 2001-07-17 US disclosed