SCHEMBL4732913

SCHEMBL4732913

COC(=O)c1cc(OC)c(OC)cc1NC(=O)CSc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 1.00
CYP1A2 P05177 2/20 1.00
CYP3A4 P08684 2/20 1.00
CYP2C9 P11712 2/20 1.00
CYP2C19 P33261 2/20 1.00
ALDH1A1 P00352 8/20 0.84
TP53 P04637 1/20 0.84
HPGD P15428 4/20 0.80
L3MBTL1 Q9Y468 3/20 0.70
RAB9A P51151 2/20 0.65
NPC1 O15118 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
KMT2A Q03164 3/20 0.62
HSD17B10 Q99714 3/20 0.62
MAPK1 P28482 2/20 0.62
USP2 O75604 1/20 0.62
TSHR P16473 1/20 0.62
MAPT P10636 4/20 0.60
MEN1 O00255 2/20 0.60
LMNA P02545 1/20 0.60

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
SCHEMBL4734776 0.91 ALDH1A1 (1.00) KDM4ECYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4737229 0.88 ALDH1A1 (0.80) KDM4ECYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4736958 0.83 ALDH1A1 (0.72) KDM4ECYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4732827 0.83 L3MBTL1 (1.00) KDM4ECYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7464454 0.81 L3MBTL1 (0.73) KDM4ECYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4734522 0.81 ALDH1A1 (0.80) KDM4ECYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL11309848 0.80 ALDH1A1 (0.68) KDM4ECYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL11306230 0.78 ALDH1A1 (0.65) KDM4ECYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL11309070 0.77 ALDH1A1 (0.67) KDM4ECYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7937666 0.76 KDM4E (0.61) KDM4ECYP1A2CYP3A4CYP2C9CYP2C19

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