SCHEMBL4735940

SCHEMBL4735940

COC(=O)c1cc(OC)c(OC)c(OC)c1NC(=O)CSc1ccc(Br)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 3/20 0.56
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
HPGD P15428 2/20 0.56
USP2 O75604 1/20 0.55
POLB P06746 1/20 0.55
HSD17B10 Q99714 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
KMT2A Q03164 1/20 0.52
MAPT P10636 2/20 0.49
TP53 P04637 1/20 0.47
LMNA P02545 1/20 0.46

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
SCHEMBL4737371 0.91 ALDH1A1 (0.56) KDM4EALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL4737229 0.83 ALDH1A1 (0.80) KDM4EALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL4734500 0.82 L3MBTL1 (0.50) KDM4EALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL4734522 0.76 ALDH1A1 (0.80) KDM4EALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL4732905 0.74 L3MBTL1 (0.81) KDM4EALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL4753019 0.73 ALDH1A1 (0.53) ALDH1A1CYP1A2CYP2C9CYP2C19POLB
SCHEMBL4735039 0.73 L3MBTL1 (0.56) KDM4EALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL4737108 0.73 POLB (0.59) KDM4EALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL14188330 0.71 KDM4E (0.75) KDM4EALDH1A1HPGDUSP2POLB
SCHEMBL4732913 0.71 KDM4E (1.00) KDM4EALDH1A1CYP1A2CYP3A4CYP2C9

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