SCHEMBL9276129

SCHEMBL9276129

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

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
GAA P10253 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
TP53 P04637 2/20 0.33
NLRP3 Q96P20 2/20 0.32
ALOX15 P16050 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
SCHEMBL9216687 0.90 ALDH1A1 (0.39) MAPTGAAALDH1A1KDM4ENPC1
SCHEMBL9267498 0.86 GAA (0.53) MAPTGAATP53NLRP3
SCHEMBL9701450 0.85 ALDH1A1 (0.40) MAPTGAAALDH1A1KDM4ENPC1
SCHEMBL7458450 0.84 ALOX15 (0.41) GAAALDH1A1NPC1SMN1; SMN2TP53
SCHEMBL7452294 0.84 GAA (0.47) MAPTGAASMN1; SMN2TP53NLRP3
SCHEMBL7455217 0.83 GAA (0.47) MAPTGAAALDH1A1KDM4ENPC1
SCHEMBL11003825 0.81 ALDH1A1 (0.46) MAPTGAAALDH1A1KDM4ENPC1
SCHEMBL10507458 0.79 GAA (0.39) MAPTGAAALDH1A1KDM4ENPC1
SCHEMBL10505644 0.79 GAA (0.40) MAPTGAAALDH1A1KDM4ENPC1
SCHEMBL10845099 0.79 ALDH1A1 (0.43) MAPTGAAALDH1A1KDM4ENPC1

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