SCHEMBL7750388

SCHEMBL7750388

Cc1ccc2c(c1)c1c(CC(=O)O)nn(-c3ccccc3)c(=O)c1n2C

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.56
POLB P06746 3/20 0.47
KMT2A Q03164 4/20 0.46
TSHR P16473 3/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
RXFP1 Q9HBX9 2/20 0.46
MAPT P10636 1/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HSD17B10 Q99714 2/20 0.46
ALOX15 P16050 1/20 0.45
GAA P10253 1/20 0.44

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
SCHEMBL7497799 0.90 TSPO (0.71) TSPOKMT2ATSHRHPGDKDM4E
SCHEMBL7497769 0.89 TSPO (0.51) TSPOPOLBKMT2ATSHRHPGD
SCHEMBL7750398 0.88 TSPO (0.69) TSPO
SCHEMBL7750505 0.88 TSPO (0.61) TSPOPOLBKMT2ATSHRHPGD
SCHEMBL7499582 0.87 TSPO (0.51) TSPOPOLBKMT2ATSHRHPGD
SCHEMBL7492444 0.84 TSPO (0.46) TSPOPOLBKMT2ATSHRHPGD
SCHEMBL7745876 0.83 MAOB (0.54) TSPOPOLBKMT2AHPGDKDM4E
SCHEMBL5702540 0.82 TSPO (0.81) TSPOMAPTTP53
SCHEMBL22082635 0.81 TSPO (0.80) TSPOPOLBMAPTTP53SMN1; SMN2
SCHEMBL7751594 0.77 TSPO (0.50) TSPOPOLBKMT2ATSHRHPGD

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