SCHEMBL8601382

SCHEMBL8601382

CCCSc1cc(N)c(F)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
THRB P10828 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
SLC6A4 P31645 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPT P10636 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA13 Q8N1Q1 1/20 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
SCHEMBL8633135 0.90 TLR8 (0.39) KMT2ATHRBSLC6A4CA2
SCHEMBL8603129 0.86 SLC6A4 (0.33) SLC6A4
SCHEMBL8878138 0.78 PTGS2 (0.38) SLC6A4NPC1RAB9ACA2
SCHEMBL8603017 0.78 NPC1 (0.31) KMT2ANPC1TP53RAB9ASMN1; SMN2
SCHEMBL8598215 0.77 GAA (0.35) KMT2ASLC6A4MAPT
SCHEMBL8598851 0.77 PTGS2 (0.33) SLC6A4
SCHEMBL11410097 0.77 GAA (0.46) KMT2ASLC6A4NPC1TP53MAPT
SCHEMBL15059058 0.76
SCHEMBL8603906 0.76 POLB (0.33) NPC1RAB9AMAPT
SCHEMBL8599598 0.76 MEN1 (0.36) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0626370-B1 Process for producing aromatic isothiocyanate derivatives SUMITOMO CHEMICAL CO (JP) 1998-02-11 EP disclosed
EP-0626370-A1 Process for producing aromatic isothiocyanate derivatives SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1994-11-30 EP disclosed