SCHEMBL7467753

SCHEMBL7467753

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
TP53 P04637 2/20 0.43
CYP2D6 P10635 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP3A4 P08684 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL7456905 0.85 ALDH1A1 (0.44) L3MBTL1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL7467747 0.83 MAPT (0.47) L3MBTL1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL7461299 0.80 KMT2A (0.53) L3MBTL1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL7467908 0.80 RAB9A (0.53) L3MBTL1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL7459783 0.78 ALDH1A1 (0.53) L3MBTL1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL7459046 0.77 ALDH1A1 (0.51) L3MBTL1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL7461619 0.77 ALDH1A1 (0.52) L3MBTL1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL7462894 0.77 KDM4E (0.64) L3MBTL1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL7454439 0.75 TP53 (0.51) L3MBTL1ALDH1A1TP53MAPTRAB9A
SCHEMBL7452088 0.74 MEN1 (0.66) L3MBTL1ALDH1A1CYP1A2CYP2C9CYP2C19

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