SCHEMBL10458248

SCHEMBL10458248

COc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCC(=O)c2ccccc2)nc(OC)n1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
TP53 P04637 4/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL10972119 0.87 ALDH1A1 (0.48) MAPTALDH1A1KDM4ENPC1SMN1; SMN2
SCHEMBL10459906 0.85 ALDH1A1 (0.51) MAPTALDH1A1KDM4ENPC1SMN1; SMN2
SCHEMBL54807 0.84 ALDH1A1 (0.49) MAPTALDH1A1KDM4ENPC1SMN1; SMN2
SCHEMBL10382723 0.84 ALDH1A1 (0.52) MAPTALDH1A1KDM4ENPC1SMN1; SMN2
SCHEMBL29373703 0.84 ALDH1A1 (0.49) MAPTALDH1A1KDM4ENPC1SMN1; SMN2
SCHEMBL8535445 0.84 ALDH1A1 (0.49) MAPTALDH1A1KDM4ENPC1SMN1; SMN2
SCHEMBL10755688 0.84 MAPT (0.50) MAPTALDH1A1KDM4ENPC1SMN1; SMN2
SCHEMBL10915090 0.83 ALDH1A1 (0.51) MAPTALDH1A1KDM4ENPC1SMN1; SMN2
SCHEMBL10459499 0.83 ALDH1A1 (0.46) MAPTALDH1A1KDM4ENPC1SMN1; SMN2
SCHEMBL14119446 0.82 ALDH1A1 (0.48) MAPTALDH1A1KDM4ENPC1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4978383-A HERBICIDES CIBA-GEIGY CORPORATION (US) 1990-12-18 US claimed
US-4978383-A HERBICIDES CIBA-GEIGY CORPORATION (US) 1990-12-18 US disclosed