SCHEMBL6507303

SCHEMBL6507303

CS(=O)(=O)Nc1ncc(N2CCCC2)s1.Cc1ccccc1S(=O)(=O)Nc1ncc(N2CCCC2)s1.O=S(=O)(Nc1ncc(N2CCCC2)s1)c1ccccc1.O=S(=O)(Nc1ncc(N2CCCC2)s1)c1nccs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.40
SCN9A Q15858 4/20 0.35
PKM P14618 1/20 0.35
ALDH1A1 P00352 5/20 0.34
LMNA P02545 2/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
SCN1B Q07699 2/20 0.33
SCN8A Q9UQD0 2/20 0.33
CCNE2 O96020 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SCN1A P35498 1/20 0.33
SCN5A Q14524 1/20 0.33
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33

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
SCHEMBL6508208 0.74 GAA (0.38) SCN9APKMALDH1A1LMNAGAA
SCHEMBL6502170 0.70 SCN1A (0.38) SCN9APKMALDH1A1LMNAMAPT
SCHEMBL6502050 0.69 PKM (0.47) JAK2PKMALDH1A1LMNAGAA
SCHEMBL6501868 0.63 ALDH1A1 (0.49) JAK2PKMALDH1A1LMNAMEN1
SCHEMBL14921838 0.63 ALDH1A1 (0.54) SCN9APKMALDH1A1LMNAGAA
SCHEMBL326633 0.62 ALDH1A1 (0.71) SCN9APKMALDH1A1LMNAMEN1
SCHEMBL6502797 0.62 SLC40A1 (0.39) SCN9AALDH1A1LMNAMEN1MAPT
SCHEMBL14683655 0.61 ALDH1A1 (0.62) SCN9APKMALDH1A1LMNAMEN1
Hydrochloric Acid SCHEMBL27575105 0.61 ALDH1A1 (0.69) SCN9APKMALDH1A1LMNAMEN1
SCHEMBL3070565 0.61 ALDH1A1 (0.68) SCN9APKMALDH1A1LMNAMEN1

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-2005014591-A1 2-ACYLAMINO OR 2-SULFONYLAMINO-1, 3-THIAZOLES AS COUPLERS FOR THE OXIDATION DYEING OF KERATIN FIBRES L'OREAL (FR) 2005-02-17 WO claimed