SCHEMBL9136178

SCHEMBL9136178

COc1nc(C)nc(NC(=O)NS(=O)(=O)c2cccc(C(=O)O)c2I)n1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.38
CDK1 P06493 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 1/20 0.33
FBP1 P09467 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
SCHEMBL66269 0.89 MAPT (0.46) MAPTALDH1A1KDM4ENPC1GAA
SCHEMBL30013512 0.89 MAPT (0.46) MAPTALDH1A1KDM4ENPC1GAA
SCHEMBL29396197 0.89 MAPT (0.46) MAPTALDH1A1KDM4ENPC1GAA
SCHEMBL21462144 0.89 MAPT (0.46) MAPTALDH1A1KDM4ENPC1GAA
SCHEMBL8507303 0.88 ALDH1A1 (0.44) MAPTALDH1A1KDM4ENPC1GAA
Metsulfuron-Methyl SCHEMBL9451064 0.86 NPC1 (0.46) MAPTALDH1A1KDM4ENPC1GAA
Iodosulfuron SCHEMBL19463106 0.85 MAPT (0.41) MAPTALDH1A1KDM4ENPC1GAA
Chlorsulfuron SCHEMBL3428108 0.84 ALDH1A1 (0.55) MAPTALDH1A1KDM4ENPC1SMN1; SMN2
SCHEMBL29489600 0.84 ALDH1A1 (0.46) MAPTALDH1A1KDM4ENPC1GAA
SCHEMBL29360781 0.84 ALDH1A1 (0.46) MAPTALDH1A1KDM4ENPC1GAA

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
US-5463081-A Chemical intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1995-10-31 US disclosed