SCHEMBL7455377

SCHEMBL7455377

COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2ncccc2C(O)CCl)n1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
GLA P06280 1/20 0.41
CDK1 P06493 1/20 0.41
CYP1A2 P05177 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL7458934 0.95 GAA (0.45) GAAMAPTTP53GLACDK1
SCHEMBL7454655 0.94 GAA (0.45) GAAMAPTTP53GLACDK1
SCHEMBL7453942 0.90 GAA (0.53) GAAMAPTTP53GLACDK1
SCHEMBL9269903 0.88 NPC1 (0.42) GAAMAPTTP53ALDH1A1KDM4E
SCHEMBL7455302 0.87 ALOX15 (0.41) GAATP53ALDH1A1KMT2AKDM4E
SCHEMBL9218390 0.87 GAA (0.47) GAAMAPTTP53GLACDK1
SCHEMBL7464037 0.87 GAA (0.47) GAAMAPTTP53GLACDK1
SCHEMBL7452100 0.86 GAA (0.50) GAAMAPTTP53GLACDK1
SCHEMBL9274753 0.86 ALDH1A1 (0.42) GAAMAPTTP53ALDH1A1KDM4E
SCHEMBL9701450 0.86 ALDH1A1 (0.40) GAAMAPTTP53ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0639190-B1 PYRIDINE SULFONYL UREA DERIVATIVES LG CHEM INVESTMENT LTD (KR) 2002-01-09 EP claimed
US-5461026-A Pyridine sulfonyl urea derivatives KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1995-10-24 US claimed
EP-0639190-A1 PYRIDINE SULFONYL UREA DERIVATIVES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1995-02-22 EP claimed
WO-1992014728-A1 PYRIDINE SULFONYL UREA DERIVATIVES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1992-09-03 WO claimed
EP-0639190-B1 PYRIDINE SULFONYL UREA DERIVATIVES LG CHEM INVESTMENT LTD (KR) 2002-01-09 EP disclosed
US-5461026-A Pyridine sulfonyl urea derivatives KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1995-10-24 US disclosed
WO-1992014728-A1 PYRIDINE SULFONYL UREA DERIVATIVES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1992-09-03 WO disclosed