SCHEMBL9274753

SCHEMBL9274753

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

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 2/20 0.37
TP53 P04637 4/20 0.36
GAA P10253 1/20 0.35
DOT1L Q8TEK3 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
SCHEMBL9212510 0.92 ALDH1A1 (0.43) ALDH1A1KDM4ENPC1SMN1; SMN2MAPT
SCHEMBL9701450 0.91 ALDH1A1 (0.40) ALDH1A1KDM4ENPC1SMN1; SMN2MAPT
SCHEMBL9216687 0.86 ALDH1A1 (0.39) ALDH1A1KDM4ENPC1SMN1; SMN2MAPT
SCHEMBL7455377 0.86 GAA (0.50) ALDH1A1KDM4ENPC1SMN1; SMN2MAPT
SCHEMBL7458934 0.85 GAA (0.45) ALDH1A1KDM4ENPC1SMN1; SMN2MAPT
SCHEMBL7454655 0.83 GAA (0.45) SMN1; SMN2MAPTTP53GAA
SCHEMBL7455302 0.82 ALOX15 (0.41) ALDH1A1KDM4ENPC1SMN1; SMN2TP53
SCHEMBL9269903 0.81 NPC1 (0.42) ALDH1A1KDM4ENPC1SMN1; SMN2MAPT
SCHEMBL10999502 0.79 ALDH1A1 (0.49) ALDH1A1KDM4ENPC1SMN1; SMN2MAPT
SCHEMBL7464037 0.77 GAA (0.47) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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