SCHEMBL4737108

SCHEMBL4737108

COC(=O)c1cc(Cl)ccc1NC(=O)CSc1ccc(Br)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.59
MAPT P10636 1/20 0.59
BLM P54132 1/20 0.59
L3MBTL1 Q9Y468 2/20 0.56
CYP1A2 P05177 3/20 0.56
CYP2C9 P11712 3/20 0.56
CYP2C19 P33261 3/20 0.56
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 2/20 0.56
CYP3A4 P08684 2/20 0.56
HPGD P15428 1/20 0.56
CYP2D6 P10635 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
HTT P42858 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GAA P10253 1/20 0.50
PRMT5 O14744 1/20 0.49
WDR77 Q9BQA1 1/20 0.49

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
SCHEMBL4735039 0.91 L3MBTL1 (0.56) POLBMAPTBLML3MBTL1CYP1A2
SCHEMBL4737140 0.87 MEN1 (0.64) POLBMAPTL3MBTL1ALDH1A1KDM4E
SCHEMBL4734801 0.86 KMT2A (0.57) POLBMAPTBLML3MBTL1CYP1A2
SCHEMBL4732905 0.83 L3MBTL1 (0.81) POLBL3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL4737229 0.82 ALDH1A1 (0.80) POLBMAPTL3MBTL1CYP1A2CYP2C9
SCHEMBL7463414 0.82 L3MBTL1 (0.60) MAPTL3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL7461852 0.80 L3MBTL1 (0.70) MAPTL3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL4736783 0.80 GRIK1 (0.60) POLBMAPTL3MBTL1ALDH1A1KDM4E
SCHEMBL7464154 0.79 L3MBTL1 (0.56) MAPTL3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL7462151 0.79 L3MBTL1 (0.56) POLBMAPTL3MBTL1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008069611-A1 N-PHENYLAMIDE DERIVATIVE, PROCESS FOR THE PREPARATION THEREOF, AND COMPOSITION FOR PREVENTING OR TREATING ISCHEMIC DISEASES COMPRISING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-06-12 WO claimed
WO-2008069611-A1 N-PHENYLAMIDE DERIVATIVE, PROCESS FOR THE PREPARATION THEREOF, AND COMPOSITION FOR PREVENTING OR TREATING ISCHEMIC DISEASES COMPRISING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-06-12 WO disclosed