SCHEMBL9701679

SCHEMBL9701679

CCOC(=O)c1c(S(=O)(=O)NC(=O)Nc2nc(NC)nc(OCC)n2)ccn1C

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
ALDH1A1 P00352 3/20 0.48
NPC1 O15118 2/20 0.48
KDM4E B2RXH2 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.43
TP53 P04637 4/20 0.43
POLB P06746 1/20 0.41
HTT P42858 1/20 0.40
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL9021773 0.93 ALDH1A1 (0.49) MAPTALDH1A1NPC1KDM4ESMN1; SMN2
SCHEMBL9022081 0.93 ALDH1A1 (0.48) MAPTALDH1A1NPC1KDM4ESMN1; SMN2
SCHEMBL9075439 0.89 ALDH1A1 (0.48) MAPTALDH1A1NPC1KDM4ESMN1; SMN2
SCHEMBL9022073 0.77 ALDH1A1 (0.36) MAPTALDH1A1NPC1KDM4ESMN1; SMN2
Ethametsulfuron Methyl SCHEMBL30116866 0.77 ALDH1A1 (0.59) MAPTALDH1A1NPC1KDM4ESMN1; SMN2
Ethametsulfuron Methyl SCHEMBL55796 0.77 ALDH1A1 (0.59) MAPTALDH1A1NPC1KDM4ESMN1; SMN2
Ethametsulfuron Methyl SCHEMBL29512476 0.77 ALDH1A1 (0.59) MAPTALDH1A1NPC1KDM4ESMN1; SMN2
SCHEMBL29376940 0.75 MAPT (0.61) MAPTALDH1A1NPC1KDM4ESMN1; SMN2
SCHEMBL127064 0.75 MAPT (0.61) MAPTALDH1A1NPC1KDM4ESMN1; SMN2
SCHEMBL30534024 0.75 MAPT (0.61) MAPTALDH1A1NPC1KDM4ESMN1; SMN2

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-1992004319-A1 HERBICIDAL PYRROLESULFONYLUREAS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-03-19 WO disclosed