SCHEMBL9660462

SCHEMBL9660462

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.39
KMT2A Q03164 4/20 0.37
POLB P06746 1/20 0.37
GLA P06280 1/20 0.36
NPC1 O15118 4/20 0.36
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 2/20 0.34
NPY1R P25929 1/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL9660754 0.85 KIF11 (0.41) HPGDKMT2APOLBGLANPC1
SCHEMBL9658796 0.80 GLA (0.40) HPGDKMT2APOLBGLANPC1
SCHEMBL9660783 0.74 MEN1 (0.30) KMT2APOLBNPC1MEN1RAB9A
SCHEMBL9660457 0.74 ALDH1A1 (0.39) ALDH1A1
SCHEMBL9660786 0.74 MEN1 (0.30) KMT2APOLBNPC1MEN1RAB9A
SCHEMBL9690711 0.73 POLB (0.41) HPGDKMT2APOLBNPC1ALDH1A1
SCHEMBL9660817 0.71 KMT2A (0.41) HPGDKMT2ANPC1ALDH1A1MEN1
SCHEMBL11774825 0.70 CA2 (0.47) KMT2AALDH1A1MEN1SMN1; SMN2GAA
SCHEMBL9660439 0.69 HPGD (0.41) HPGDKMT2APOLBNPC1ALDH1A1
SCHEMBL9661605 0.69 KMT2A (0.38) HPGDKMT2APOLBGLANPC1

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