SCHEMBL9660717

SCHEMBL9660717

NN(C1=NCCS1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 2/20 0.36
NISCH Q9Y2I1 1/20 0.35
KIF11 P52732 3/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
MAPT P10636 1/20 0.32
ATM Q13315 1/20 0.32
TSHR P16473 1/20 0.32
TNKS O95271 1/20 0.32
PARP1 P09874 1/20 0.32
WNT3A P56704 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
MKNK1 Q9BUB5 1/20 0.31

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
SCHEMBL9690026 0.82 TSHR (0.38) NPC1KMT2AALDH1A1CASP3RAB9A
SCHEMBL9660750 0.78 ALDH1A1 (0.44) ALDH1A1KIF11TSHRNPSR1
SCHEMBL9660922 0.77 ADRA2A (0.38) NPC1KMT2AALDH1A1CASP3RAB9A
SCHEMBL9689465 0.77 NOTUM (0.32) NPC1KMT2AALDH1A1RAB9AMAPT
SCHEMBL9660409 0.77 ALDH1A1 (0.32) ALDH1A1
SCHEMBL9660892 0.76 ALDH1A1 (0.31) ALDH1A1MAPTATM
SCHEMBL9661541 0.75 POLB (0.38) NPC1KMT2AALDH1A1CASP3RAB9A
SCHEMBL9661596 0.74 SMN1; SMN2 (0.39) NPC1KMT2AALDH1A1RAB9AMAPT
SCHEMBL9658728 0.71 POLB (0.37) NPC1ALDH1A1CASP3RAB9ASENP8
SCHEMBL9689432 0.70 ALDH1A1 (0.36) ALDH1A1NPSR1

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