SCHEMBL6502799

SCHEMBL6502799

O=S(=O)(Nc1nccs1)c1nc(Cl)c(N2CCCC2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 2/20 0.45
HSD17B10 Q99714 2/20 0.45
USP2 O75604 1/20 0.45
ESR2 Q92731 1/20 0.45
ALDH1A1 P00352 4/20 0.44
KMT2A Q03164 3/20 0.44
SCN9A Q15858 8/20 0.43
SCN8A Q9UQD0 3/20 0.41
PKM P14618 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP2C9 P11712 1/20 0.40
EDNRA P25101 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP3A4 P08684 3/20 0.39
SCN5A Q14524 2/20 0.39

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 0.86 SLC40A1 (0.39) LMNASMN1; SMN2MAPTHSD17B10USP2
SCHEMBL6508478 0.72 SLC40A1 (0.37) LMNASMN1; SMN2MAPTHSD17B10USP2
SCHEMBL14683655 0.71 ALDH1A1 (0.62) LMNASMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL6504150 0.69 ALDH1A1 (0.50) LMNASMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL6501864 0.69 USP2 (0.51) MAPTHSD17B10USP2ESR2SCN9A
SCHEMBL6507034 0.67 HPGD (0.40) LMNASMN1; SMN2MAPTHSD17B10ALDH1A1
SCHEMBL6501868 0.66 ALDH1A1 (0.49) LMNASMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL2626467 0.64 ALDH1A1 (0.59) LMNASMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL2626421 0.63 KMT2A (0.60) LMNASMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL28780801 0.63 LMNA (0.57) LMNASMN1; SMN2MAPTHSD17B10USP2

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