SCHEMBL8921185

SCHEMBL8921185

CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(O)c(N)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
ALDH1A1 P00352 3/20 0.60
MAPK1 P28482 1/20 0.60
PKM P14618 2/20 0.57
GAA P10253 2/20 0.57
GFER P55789 1/20 0.57
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
LMNA P02545 2/20 0.56
KDM4E B2RXH2 2/20 0.56
KDM1A O60341 1/20 0.56
CYP3A4 P08684 1/20 0.56
HPGD P15428 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.54
POLB P06746 1/20 0.54

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
SCHEMBL8921186 0.92 PKM (0.64) MEN1KMT2AALDH1A1MAPK1PKM
SCHEMBL8920527 0.88 KDM4E (0.59) MEN1KMT2AALDH1A1PKMGAA
SCHEMBL8920534 0.84 PKM (0.67) MEN1KMT2AALDH1A1PKMGAA
SCHEMBL10751259 0.84 CA1 (0.63) MEN1KMT2AALDH1A1PKMGAA
SCHEMBL19329515 0.84 MEN1 (0.61) MEN1KMT2AALDH1A1MAPK1PKM
SCHEMBL11888673 0.82 MEN1 (0.61) MEN1KMT2AALDH1A1MAPK1PKM
SCHEMBL29118884 0.81 PKM (0.73) MEN1KMT2AALDH1A1MAPK1PKM
SCHEMBL32668980 0.81 KMT2A (0.60) MEN1KMT2AALDH1A1MAPK1PKM
SCHEMBL8918680 0.81 KMT2A (0.60) MEN1KMT2AALDH1A1MAPK1PKM
SCHEMBL4055616 0.78 TDP1 (0.57) MEN1KMT2AALDH1A1PKMCA12

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-5668259-A ANIONIC DYES CLARIANT FINANCE (BVI) LIMITED (VG) 1997-09-16 US disclosed