SCHEMBL20568013

SCHEMBL20568013

O=[C]Nc1cccc(NS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL1RN P18510 1/20 0.61
KEAP1 Q14145 1/20 0.61
ERAP1 Q9NZ08 1/20 0.61
HTR6 P50406 7/20 0.61
ALDH1A1 P00352 3/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
PKM P14618 1/20 0.58
GAA P10253 2/20 0.56
HPGD P15428 1/20 0.56
CYP19A1 P11511 2/20 0.56
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
PGR P06401 1/20 0.53
POLB P06746 1/20 0.53
L3MBTL1 Q9Y468 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
SCHEMBL9001184 0.88 KEAP1 (0.79) IL1RNKEAP1ERAP1HTR6ALDH1A1
SCHEMBL21836009 0.87 CA12 (0.63) HTR6ALDH1A1MEN1KMT2AGAA
SCHEMBL9490763 0.84 KMT2A (0.69) IL1RNKEAP1ERAP1HTR6ALDH1A1
SCHEMBL28809872 0.83 KMT2A (0.72) IL1RNKEAP1ERAP1ALDH1A1MEN1
SCHEMBL31681311 0.79 CA12 (0.66) IL1RNKEAP1ERAP1HTR6ALDH1A1
SCHEMBL259382 0.79 CA12 (0.66) IL1RNKEAP1ERAP1HTR6ALDH1A1
SCHEMBL9479782 0.79 MEN1 (0.67) IL1RNKEAP1ERAP1HTR6ALDH1A1
SCHEMBL25031372 0.78 KEAP1 (1.00) IL1RNKEAP1ERAP1HTR6ALDH1A1
Phenyl(Phenylsulfonyl)Amine SCHEMBL114765 0.78 KEAP1 (1.00) IL1RNKEAP1ERAP1HTR6ALDH1A1
SCHEMBL630874 0.78 MEN1 (0.42) ALDH1A1MEN1KMT2AGAACYP19A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3730306-A1 NON-PHENOLIC COLOUR DEVELOPER AND HEAT-SENSITIVE RECORDING MATERIAL Papierfabrik August Koehler SE (DE) 2020-10-28 EP disclosed
EP-3630496-A1 NON-PHENOLIC COLOR DEVELOPER AND HEAT-SENSITIVE RECORDING MATERIAL Papierfabrik August Koehler SE (DE) 2020-04-08 EP disclosed
WO-2018215287-A1 NON-PHENOLIC COLOR DEVELOPER AND HEAT-SENSITIVE RECORDING MATERIAL PAPIERFABRIK AUGUST KOEHLER SE (DE) 2018-11-29 WO disclosed