SCHEMBL9690097

SCHEMBL9690097

FC(F)(F)Sc1cccc(NNC2=NCCS2)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
CFTR P13569 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 2/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 2/20 0.37
TRPV1 Q8NER1 5/20 0.37
HPGD P15428 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 1/20 0.34
RXFP1 Q9HBX9 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
SCHEMBL9660722 0.83 KMT2A (0.43) POLBNPC1RAB9ATP53SMN1; SMN2
SCHEMBL9690774 0.82 POLB (0.46) POLBNPC1RAB9ATP53SMN1; SMN2
SCHEMBL9690030 0.80 NPC1 (0.47) POLBNPC1RAB9ATP53SMN1; SMN2
SCHEMBL9690723 0.77 POLB (0.50) POLBNPC1RAB9ATP53SMN1; SMN2
SCHEMBL9690724 0.77 POLB (0.44) POLBNPC1RAB9ATP53SMN1; SMN2
SCHEMBL9690090 0.76 NPC1 (0.44) POLBNPC1RAB9ATP53SMN1; SMN2
SCHEMBL9690709 0.75 POLB (0.50) POLBNPC1RAB9ATP53SMN1; SMN2
SCHEMBL9581167 0.75 ALDH1A1 (0.55) POLBNPC1RAB9ATP53SMN1; SMN2
SCHEMBL9690003 0.74 POLB (0.41) POLBNPC1RAB9ATP53SMN1; SMN2
SCHEMBL9689436 0.74 POLB (0.46) POLBNPC1RAB9ATP53SMN1; 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