SCHEMBL6508478

SCHEMBL6508478

O=S(=O)(Nc1nc(Cl)c(N2CCCC2)s1)c1nccs1.O=S(=O)(Nc1ncsc1N1CCCC1)c1ncccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 1/20 0.37
SCN9A Q15858 5/20 0.33
MAPT P10636 2/20 0.32
HSD17B10 Q99714 2/20 0.32
USP2 O75604 1/20 0.32
ESR2 Q92731 1/20 0.32
SCN5A Q14524 5/20 0.31
SMN1; SMN2 Q16637 3/20 0.30
ALDH1A1 P00352 2/20 0.30
TSHR P16473 2/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
KDM4E B2RXH2 1/20 0.30
TP53 P04637 1/20 0.30
POLB P06746 1/20 0.30
HSP90AA1 P07900 1/20 0.30
MAPK1 P28482 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
SCN8A Q9UQD0 5/20 0.30

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
SCHEMBL6502797 0.84 SLC40A1 (0.39) SLC40A1SCN9AMAPTHSD17B10USP2
SCHEMBL6502799 0.72 LMNA (0.46) SCN9AMAPTHSD17B10USP2ESR2
SCHEMBL6504150 0.68 ALDH1A1 (0.50) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6501868 0.65 ALDH1A1 (0.49) SLC40A1MAPTSMN1; SMN2ALDH1A1TSHR
SCHEMBL6507034 0.63 HPGD (0.40) MAPTHSD17B10SMN1; SMN2ALDH1A1MEN1
SCHEMBL11973683 0.56 SLC40A1 (1.00) SLC40A1MAPTALDH1A1MEN1KMT2A
SCHEMBL14683655 0.55 ALDH1A1 (0.62) SCN9AMAPTSMN1; SMN2ALDH1A1TSHR
SCHEMBL30925505 0.55 SLC40A1 (0.77) SLC40A1MAPTALDH1A1MEN1KMT2A
SCHEMBL27214250 0.55 SLC40A1 (0.77) SLC40A1MAPTALDH1A1MEN1KMT2A
SCHEMBL22567942 0.54 USP2 (0.70) SCN9AMAPTHSD17B10USP2ESR2

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 disclosed