SCHEMBL9660754

SCHEMBL9660754

O=S(=O)(c1ccc(NNC2=NCCS2)cc1)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.41
NPC1 O15118 2/20 0.40
GLA P06280 1/20 0.40
KMT2A Q03164 4/20 0.39
POLB P06746 1/20 0.39
PIP4K2A P48426 1/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
MAPK1 P28482 1/20 0.37
TP53 P04637 1/20 0.37
RAB9A P51151 1/20 0.37
GAA P10253 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CA2 P00918 1/20 0.36
ALDH1A1 P00352 2/20 0.34

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
SCHEMBL9660462 0.85 HPGD (0.39) NPC1GLAKMT2APOLBHPGD
SCHEMBL9690711 0.84 POLB (0.41) NPC1KMT2APOLBHPGDMEN1
SCHEMBL9658796 0.81 GLA (0.40) NPC1GLAKMT2APOLBHPGD
SCHEMBL9661605 0.80 KMT2A (0.38) NPC1GLAKMT2APOLBHPGD
SCHEMBL9660817 0.80 KMT2A (0.41) NPC1KMT2AHPGDMEN1SMN1; SMN2
SCHEMBL9660740 0.74 NPC1 (0.41) NPC1KMT2APOLBHPGDMEN1
SCHEMBL9660722 0.74 KMT2A (0.43) KIF11NPC1KMT2APOLBHPGD
SCHEMBL9660439 0.72 HPGD (0.41) NPC1KMT2APOLBHPGDMEN1
SCHEMBL9658772 0.72 POLB (0.70) NPC1KMT2APOLBHPGDMEN1
SCHEMBL9660775 0.71 KMT2A (0.47) NPC1KMT2APOLBHPGDMEN1

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
EP-0520274-A2 2-(-4-substituted-phenylhydrazino)-2-thiazoline and 2-(-4-substituted phenylazo)-2-thiazoline, their preparation and their use against ectoparasites BAYER AG (DE) 1992-12-30 EP disclosed