SCHEMBL5222484

SCHEMBL5222484

NC(=O)c1ccc(C(F)(F)F)cc1-c1ccc2scnc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 6/20 0.45
LCK P06239 6/20 0.45
KDR P35968 6/20 0.45
TGFBR1 P36897 6/20 0.45
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
CASP1 P29466 1/20 0.40
ESR1 P03372 1/20 0.40
GCK P35557 1/20 0.40
CSF1R P07333 1/20 0.39
PARP1 P09874 1/20 0.39
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
NTRK1 P04629 1/20 0.39

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
SCHEMBL5801942 0.88 RIPK2 (0.50) RIPK2LCKKDRTGFBR1MEN1
SCHEMBL29598464 0.81 HDAC6 (0.46) RIPK2LCKKDRTGFBR1
SCHEMBL5225861 0.80 BCAT2 (0.49) RIPK2LCKKDRTGFBR1ALOX5AP
SCHEMBL5232870 0.79 RIPK2 (0.45) RIPK2LCKKDRTGFBR1MEN1
SCHEMBL5224565 0.78 RIPK2 (0.49) RIPK2LCKKDRTGFBR1CSNK1D
SCHEMBL5222476 0.76 AR (0.51) RIPK2LCKKDRTGFBR1MEN1
SCHEMBL30375905 0.76 NPC1 (0.47) MEN1NPC1POLBRAB9AKMT2A
SCHEMBL1538312 0.76 NPC1 (0.47) MEN1NPC1POLBRAB9AKMT2A
SCHEMBL27724987 0.74 KIF11 (0.50) CASP1ESR1PARP1NTRK1
SCHEMBL5802267 0.73 JAK2 (0.49) RIPK2LCKKDRTGFBR1NPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799661-A1 NEW HYDROXYMETHYLBENZOTHIAZOLES AMIDES AstraZeneca AB (SE) 2007-06-27 EP claimed
WO-2006038871-A1 NEW HYDROXYMETHYLBENZOTHIAZOLES AMIDES ASTRAZENECA AB (SE) 2006-04-13 WO claimed