SCHEMBL9689472

SCHEMBL9689472

FC(F)(F)c1ccc(NNC2=NCCS2)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.52
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 4/20 0.41
NPC1 O15118 6/20 0.39
RAB9A P51151 5/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 1/20 0.38
GRM4 Q14833 1/20 0.36
RAPGEF3 O95398 1/20 0.36
ATM Q13315 1/20 0.35
PKM P14618 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
SCHEMBL9690030 0.75 NPC1 (0.47) ALDH1A1KMT2ANPC1RAB9ATP53
SCHEMBL9661549 0.73 NPC1 (0.45) HPGDALDH1A1KMT2ANPC1RAB9A
SCHEMBL9690119 0.73 ADRA2A (0.49) HPGDALDH1A1KMT2ANPC1RAB9A
SCHEMBL9660927 0.73 NPC1 (0.48) HPGDALDH1A1KMT2ANPC1RAB9A
SCHEMBL9690724 0.73 POLB (0.44) HPGDALDH1A1KMT2ANPC1RAB9A
SCHEMBL9581167 0.73 ALDH1A1 (0.55) HPGDALDH1A1KMT2ANPC1RAB9A
SCHEMBL9660439 0.71 HPGD (0.41) HPGDALDH1A1KMT2ANPC1RAB9A
SCHEMBL9661610 0.71 NPC1 (0.49) HPGDALDH1A1KMT2ANPC1RAB9A
SCHEMBL10389130 0.71 RAPGEF3 (0.42) GRM4RAPGEF3
SCHEMBL9660740 0.70 NPC1 (0.41) HPGDKMT2ANPC1RAB9ASMN1; SMN2

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-0520275-A2 2-(3-Substituted phenylhydrazino)-2-thiazoline and 2-(3-substituted phenylazo)-2-thiazoline, their preparation and their use against ectoparasites BAYER AG (DE) 1992-12-30 EP disclosed