SCHEMBL9658796

SCHEMBL9658796

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

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.40
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 6/20 0.37
RAB9A P51151 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TP53 P04637 1/20 0.37
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34
CASP1 P29466 1/20 0.34
USP2 O75604 1/20 0.34
PKM P14618 1/20 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 0.80 HPGD (0.39) GLAPOLBHPGDKMT2AMEN1
SCHEMBL9661603 0.74 NPC1 (0.50) POLBHPGDKMT2ANPC1RAB9A
SCHEMBL9658772 0.72 POLB (0.70) POLBHPGDKMT2AMEN1NPC1
Hydrochloric Acid SCHEMBL11749763 0.71 POLB (0.68) POLBHPGDKMT2AMEN1NPC1
SCHEMBL9660166 0.69 NPC1 (0.36) POLBHPGDKMT2AMEN1NPC1
SCHEMBL9660169 0.69 NPC1 (0.36) POLBHPGDKMT2AMEN1NPC1
SCHEMBL9658792 0.69 ALDH1A1 (0.44) NPC1RAB9AALDH1A1ALOX15CASP1
SCHEMBL9660740 0.69 NPC1 (0.41) POLBHPGDKMT2AMEN1NPC1
SCHEMBL9690711 0.69 POLB (0.41) POLBHPGDKMT2AMEN1NPC1
SCHEMBL9660186 0.69 NPC1 (0.41) POLBHPGDKMT2ANPC1RAB9A

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