SCHEMBL9978102

SCHEMBL9978102

C=C(C)C(=C)Nc1ccc(NS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.59
KMT2A Q03164 6/20 0.59
ALDH1A1 P00352 2/20 0.59
PKM P14618 1/20 0.59
GAA P10253 1/20 0.58
GFER P55789 1/20 0.58
KEAP1 Q14145 2/20 0.58
IL1RN P18510 1/20 0.58
ERAP1 Q9NZ08 1/20 0.58
NR1I2 O75469 1/20 0.55
CA12 O43570 2/20 0.53
CA9 Q16790 2/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
PGR P06401 1/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51

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
SCHEMBL397469 0.86 MEN1 (0.61) MEN1KMT2AALDH1A1PKMGAA
SCHEMBL11700730 0.82 MEN1 (0.82) MEN1KMT2AALDH1A1PKMGAA
SCHEMBL396617 0.82 MEN1 (0.68) MEN1KMT2AALDH1A1PKMGAA
SCHEMBL3253038 0.80 PGR (0.57) MEN1KMT2AALDH1A1PKMGAA
SCHEMBL810795 0.79 KMT2A (0.91) MEN1KMT2AALDH1A1PKMGAA
SCHEMBL19329469 0.78 MEN1 (0.73) MEN1KMT2AALDH1A1PKMGAA
SCHEMBL3402411 0.78 MEN1 (0.91) MEN1KMT2AALDH1A1PKMGAA
SCHEMBL14301712 0.77 TAS2R38 (0.54) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL12010902 0.77 MEN1 (0.72) MEN1KMT2AALDH1A1PKMGAA
SCHEMBL2201204 0.76 CA12 (0.87) MEN1KMT2AALDH1A1PKMGAA

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
EP-2329951-B1 A lithographic printing plate precursor AGFA GRAPHICS NV (BE) 2012-06-20 EP disclosed