SCHEMBL9701450

SCHEMBL9701450

COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ncccc2C(O)CCl)n1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 2/20 0.35
TP53 P04637 3/20 0.35
KMT2A Q03164 1/20 0.32

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
SCHEMBL9274753 0.91 ALDH1A1 (0.42) ALDH1A1KDM4ENPC1SMN1; SMN2MAPT
SCHEMBL7455377 0.86 GAA (0.50) ALDH1A1KDM4ENPC1SMN1; SMN2MAPT
SCHEMBL9276129 0.85 MAPT (0.37) ALDH1A1KDM4ENPC1SMN1; SMN2MAPT
SCHEMBL7455302 0.84 ALOX15 (0.41) ALDH1A1KDM4ENPC1SMN1; SMN2GAA
SCHEMBL7454655 0.84 GAA (0.45) SMN1; SMN2MAPTGAATP53
SCHEMBL11003825 0.83 ALDH1A1 (0.46) ALDH1A1KDM4ENPC1SMN1; SMN2MAPT
SCHEMBL7458934 0.83 GAA (0.45) ALDH1A1KDM4ENPC1SMN1; SMN2MAPT
SCHEMBL9212510 0.83 ALDH1A1 (0.43) ALDH1A1KDM4ENPC1SMN1; SMN2MAPT
SCHEMBL9269903 0.80 NPC1 (0.42) ALDH1A1KDM4ENPC1SMN1; SMN2MAPT
SCHEMBL10507458 0.79 GAA (0.39) ALDH1A1KDM4ENPC1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992014728-A1 PYRIDINE SULFONYL UREA DERIVATIVES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1992-09-03 WO claimed