SCHEMBL7467747

SCHEMBL7467747

COC(=O)c1c(Cl)cc(Cl)cc1NC(=O)CSc1ccc(NC(=S)NCc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
NPSR1 Q6W5P4 2/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 3/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 1/20 0.46
MAOB P27338 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44
POLB P06746 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ATM Q13315 1/20 0.43

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
SCHEMBL7467908 0.88 RAB9A (0.53) MAPTNPSR1HPGDRAB9AKMT2A
SCHEMBL7456897 0.85 KMT2A (0.48) MAPTNPSR1RAB9AKMT2AMEN1
SCHEMBL7467753 0.83 L3MBTL1 (0.43) MAPTNPSR1RAB9AKMT2AMEN1
SCHEMBL7459046 0.82 ALDH1A1 (0.51) MAPTNPSR1RAB9AKMT2AMEN1
SCHEMBL7461299 0.81 KMT2A (0.53) MAPTNPSR1HPGDRAB9AKMT2A
SCHEMBL7463577 0.81 KMT2A (0.47) MAPTNPSR1HPGDRAB9AKMT2A
SCHEMBL7452088 0.80 MEN1 (0.66) MAPTNPSR1HPGDRAB9AKMT2A
SCHEMBL7459783 0.79 ALDH1A1 (0.53) MAPTNPSR1HPGDRAB9AKMT2A
SCHEMBL7461619 0.78 ALDH1A1 (0.52) MAPTNPSR1HPGDKMT2AMEN1
SCHEMBL7462894 0.78 KDM4E (0.64) MAPTNPSR1HPGDRAB9AKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869122-B1 Quinolinic sulfide derivatives acting as NMDA receptor antagonists and process for preparation thereof KOREA RES INST CHEM TECH (KR) 2002-12-04 EP disclosed
US-5990126-A 4-HYDROXY-QUINOLIN-2-ONE DERIVATIVES SUBSTITUTED AT POSITION 3 WITH A SUBSTITUTED AROMATIC- OR HETEROAROMATIC-SULFIDE GROUP; ANTAGONIST OF EXCITATORY AMINO ACID FOR NMDA RECEPTORS; TREATING EPILEPSY, STROKE, PARKINSON'S DISEASE KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1999-11-23 US disclosed
EP-0869122-A1 Quinolinic sulfide derivatives acting as NMDA receptor antagonists and process for preparation thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1998-10-07 EP disclosed