SCHEMBL9660817

SCHEMBL9660817

O=S(=O)(c1ccc(NNC2=NCCS2)c(Cl)c1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
CA2 P00918 1/20 0.40
HPGD P15428 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
PDK1 Q15118 2/20 0.36
PDK2 Q15119 2/20 0.36
PDK3 Q15120 2/20 0.36
PDK4 Q16654 2/20 0.36
EPAS1 Q99814 1/20 0.36
ALDH1A1 P00352 4/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL9661605 0.86 KMT2A (0.38) KMT2AMEN1HPGDNPC1SMN1; SMN2
SCHEMBL9660754 0.80 KIF11 (0.41) KMT2AMEN1CA2HPGDNPC1
SCHEMBL9660927 0.79 NPC1 (0.48) KMT2AMEN1HPGDNPC1RAB9A
SCHEMBL9690711 0.78 POLB (0.41) KMT2AMEN1CA2HPGDNPC1
SCHEMBL9660727 0.74 KMT2A (0.39) KMT2AMEN1HPGDNPC1RAB9A
SCHEMBL9660140 0.74 NPY1R (0.39) KMT2AMEN1NPC1GAA
SCHEMBL9660900 0.71 ALDH1A1 (0.42) KMT2AMEN1CA2RAB9ASMN1; SMN2
SCHEMBL9660462 0.71 HPGD (0.39) KMT2AMEN1HPGDNPC1RAB9A
SCHEMBL9660795 0.71 KMT2A (0.36) KMT2AMEN1SMN1; SMN2EPAS1ALDH1A1
SCHEMBL9660787 0.71 KMT2A (0.36) KMT2AMEN1SMN1; SMN2EPAS1ALDH1A1

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