SCHEMBL6502797

SCHEMBL6502797

O=S(=O)(Nc1nc(Cl)c(N2CCCC2)s1)c1nccs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 1/20 0.39
LMNA P02545 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 2/20 0.38
HSD17B10 Q99714 2/20 0.38
USP2 O75604 1/20 0.38
ESR2 Q92731 1/20 0.38
SCN9A Q15858 7/20 0.37
ALDH1A1 P00352 5/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.34
TP53 P04637 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
NLRP3 Q96P20 1/20 0.34
CYP3A4 P08684 3/20 0.34
SCN5A Q14524 2/20 0.34
SCN8A Q9UQD0 2/20 0.33
NR1I2 O75469 1/20 0.33
ADRA2A P08913 1/20 0.33
CYP2D6 P10635 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
SCHEMBL6502799 0.86 LMNA (0.46) LMNASMN1; SMN2MAPTHSD17B10USP2
SCHEMBL6508478 0.84 SLC40A1 (0.37) SLC40A1LMNASMN1; SMN2MAPTHSD17B10
SCHEMBL6504150 0.77 ALDH1A1 (0.50) LMNASMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL6507034 0.75 HPGD (0.40) LMNASMN1; SMN2MAPTHSD17B10ALDH1A1
SCHEMBL6501868 0.73 ALDH1A1 (0.49) SLC40A1LMNASMN1; SMN2MAPTALDH1A1
SCHEMBL14683655 0.63 ALDH1A1 (0.62) LMNASMN1; SMN2MAPTSCN9AALDH1A1
SCHEMBL6501864 0.62 USP2 (0.51) MAPTHSD17B10USP2ESR2SCN9A
SCHEMBL18710026 0.60 SLC40A1 (0.46) SLC40A1LMNASMN1; SMN2MAPTHSD17B10
SCHEMBL8229998 0.60 SLC40A1 (0.46) SLC40A1LMNASMN1; SMN2MAPTHSD17B10
SCHEMBL6965162 0.58 EDNRA (0.58) EDNRA

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