SCHEMBL4733849

SCHEMBL4733849

COC(=O)c1cc(Cl)ccc1NC(=O)CCSc1ccccn1

nearest known ligand 0.85

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.60
MAPK10 P53779 1/20 0.60
POLB P06746 1/20 0.55
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
ALDH1A1 P00352 3/20 0.53
HPGD P15428 3/20 0.53
KDM4E B2RXH2 1/20 0.51
RGS12 O14924 1/20 0.47
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 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
SCHEMBL4735007 0.92 POLB (0.63) LMNAMAPK10POLBNPC1RAB9A
SCHEMBL4735004 0.88 NPC1 (0.54) LMNAPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL4734498 0.87 LMNA (0.78) LMNAMAPK10POLBNPC1RAB9A
SCHEMBL4737597 0.84 POLB (0.59) LMNAMAPK10POLBNPC1RAB9A
SCHEMBL4737760 0.82 GRIK1 (0.57) LMNANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7033057 0.78 PPARG (0.61) LMNAMAPK10POLBNPC1RAB9A
SCHEMBL4749629 0.78 NPC1 (0.61) LMNAMAPK10POLBNPC1RAB9A
SCHEMBL4749274 0.77 SMN1; SMN2 (0.56) LMNAMAPK10NPC1RAB9ASMN1; SMN2
SCHEMBL4738815 0.77 NPC1 (0.48) LMNANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4736542 0.76 SMN1; SMN2 (0.58) LMNAMAPK10POLBNPC1RAB9A

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