SCHEMBL4737229

SCHEMBL4737229

COC(=O)c1cc(OC)c(OC)cc1NC(=O)CSc1ccc(Br)cc1

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.80
KDM4E B2RXH2 5/20 0.80
HPGD P15428 4/20 0.80
CYP1A2 P05177 3/20 0.80
CYP3A4 P08684 3/20 0.80
CYP2C9 P11712 3/20 0.80
CYP2C19 P33261 3/20 0.80
TP53 P04637 1/20 0.65
SMN1; SMN2 Q16637 2/20 0.57
MAPT P10636 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.54
TSHR P16473 2/20 0.53
HSD17B10 Q99714 2/20 0.53
KMT2A Q03164 4/20 0.52
USP2 O75604 1/20 0.52
MAPK1 P28482 1/20 0.52
MEN1 O00255 2/20 0.52
LMNA P02545 1/20 0.52
POLB P06746 1/20 0.51

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
SCHEMBL4734522 0.91 ALDH1A1 (0.80) ALDH1A1KDM4EHPGDCYP1A2CYP3A4
SCHEMBL4732913 0.88 KDM4E (1.00) ALDH1A1KDM4EHPGDCYP1A2CYP3A4
SCHEMBL4733114 0.84 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDCYP1A2CYP3A4
SCHEMBL4735940 0.83 KDM4E (0.56) ALDH1A1KDM4EHPGDCYP1A2CYP3A4
SCHEMBL4735039 0.82 L3MBTL1 (0.56) ALDH1A1KDM4EHPGDCYP1A2CYP3A4
SCHEMBL4737108 0.82 POLB (0.59) ALDH1A1KDM4EHPGDCYP1A2CYP3A4
SCHEMBL4732905 0.81 L3MBTL1 (0.81) ALDH1A1KDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL4734776 0.79 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDCYP1A2CYP3A4
SCHEMBL4734500 0.78 L3MBTL1 (0.50) ALDH1A1KDM4EHPGDCYP1A2CYP3A4
SCHEMBL4737371 0.76 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDCYP1A2CYP3A4

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