SCHEMBL8535700

SCHEMBL8535700

COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2c(Cl)nc3ccccn23)n1.COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2c(Cl)nc3ccccn23)n1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.52
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPK1 P28482 2/20 0.44
MAPT P10636 3/20 0.43
ALDH1A1 P00352 3/20 0.43
TP53 P04637 1/20 0.43
GLA P06280 1/20 0.43
CDK1 P06493 1/20 0.42
CYP1A2 P05177 1/20 0.40
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL55236 1.00 GAA (0.52) GAARAB9ASMN1; SMN2MAPK1MAPT
SCHEMBL9362781 0.94 GAA (0.46) GAARAB9ASMN1; SMN2MAPK1MAPT
SCHEMBL12633039 0.94 GAA (0.46) GAARAB9ASMN1; SMN2MAPK1MAPT
Halosulfuron SCHEMBL3374072 0.91 GAA (0.44) GAARAB9ASMN1; SMN2MAPK1MAPT
SCHEMBL9517874 0.89 MAPT (0.45) GAARAB9ASMN1; SMN2MAPK1MAPT
SCHEMBL8480505 0.89 GAA (0.53) GAAMAPTALDH1A1TP53GLA
SCHEMBL8477231 0.88 GAA (0.52) GAAMAPTALDH1A1TP53GLA
SCHEMBL8477647 0.88 GAA (0.57) GAASMN1; SMN2MAPTALDH1A1TP53
SCHEMBL5904842 0.86 RAB9A (0.46) GAARAB9ASMN1; SMN2MAPK1MAPT
Dichlormid SCHEMBL2373458 0.86 GAA (0.40) GAARAB9ASMN1; SMN2MAPK1MAPT

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-0574418-B1 ARYL SULPHONYL UREA COMPOUNDS, A METHOD OF PREPARING THEM, AND THEIR USE AS HERBICIDES AND GROWTH REGULATORS HOECHST SCHERING AGREVO GMBH (DE) 1998-11-11 EP disclosed
US-5463081-A Chemical intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1995-10-31 US disclosed