SCHEMBL7463577

SCHEMBL7463577

COC(=O)c1c(Cl)cc(Cl)cc1NC(=O)CSc1ccc(NC(=O)Cc2cccc(Br)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.47
MEN1 O00255 7/20 0.47
ALDH1A1 P00352 4/20 0.47
RAB9A P51151 3/20 0.44
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 6/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 2/20 0.41
GAA P10253 1/20 0.40

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 0.90 RAB9A (0.53) KMT2AMEN1ALDH1A1RAB9ALMNA
SCHEMBL7467747 0.81 MAPT (0.47) KMT2AMEN1ALDH1A1RAB9ALMNA
SCHEMBL7452088 0.80 MEN1 (0.66) KMT2AMEN1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL7456897 0.79 KMT2A (0.48) KMT2AMEN1ALDH1A1RAB9ALMNA
SCHEMBL7459783 0.79 ALDH1A1 (0.53) KMT2AMEN1ALDH1A1RAB9ALMNA
SCHEMBL7459046 0.78 ALDH1A1 (0.51) KMT2AMEN1ALDH1A1RAB9ALMNA
SCHEMBL7462894 0.78 KDM4E (0.64) KMT2AMEN1ALDH1A1RAB9ALMNA
SCHEMBL7461619 0.78 ALDH1A1 (0.52) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL7461299 0.77 KMT2A (0.53) KMT2AMEN1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL7459301 0.76 L3MBTL1 (0.56) KMT2AMEN1ALDH1A1RAB9ALMNA

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