SCHEMBL5801942

SCHEMBL5801942

CC(C)(C)c1ccc(C(N)=O)c(-c2ccc3scnc3c2)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 8/20 0.50
LCK P06239 7/20 0.50
KDR P35968 7/20 0.50
TGFBR1 P36897 6/20 0.50
CSNK1D P48730 1/20 0.42
CSNK1E P49674 1/20 0.42
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
SYK P43405 4/20 0.39
TRPV1 Q8NER1 1/20 0.39
FFAR1 O14842 1/20 0.39
JAK2 O60674 1/20 0.37
NTRK1 P04629 1/20 0.36
NTRK2 Q16620 1/20 0.36

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
SCHEMBL5222484 0.88 RIPK2 (0.45) RIPK2LCKKDRTGFBR1CSNK1D
SCHEMBL5232870 0.81 RIPK2 (0.45) RIPK2LCKKDRTGFBR1MEN1
SCHEMBL5225861 0.80 BCAT2 (0.49) RIPK2LCKKDRTGFBR1ALOX5AP
SCHEMBL5801938 0.76 TGFBR1 (0.50) RIPK2LCKKDRTGFBR1CSNK1D
SCHEMBL18589865 0.76 FFAR1 (0.45) RIPK2LCKKDRTGFBR1ALOX5AP
SCHEMBL761133 0.76 ALDH1A1 (0.45) RIPK2LCKKDRTGFBR1ALOX5AP
SCHEMBL29598464 0.74 HDAC6 (0.46) RIPK2LCKKDRTGFBR1
SCHEMBL5802267 0.73 JAK2 (0.49) RIPK2LCKKDRTGFBR1JAK2
SCHEMBL13544749 0.71 HSD11B1 (0.54) MEN1POLBKMT2ATRPV1NTRK1
SCHEMBL5224565 0.71 RIPK2 (0.49) RIPK2LCKKDRTGFBR1CSNK1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1622884-A1 NEW HETEROCYCLIC AMIDES EXHIBITING AN INHIBITORY ACTIVITY AT THE VANILLOID RECEPTOR 1 (VR1). AstraZeneca AB (SE) 2006-02-08 EP claimed
WO-2004096784-A1 NEW HETEROCYCLIC AMIDES EXHIBITING AN INHIBITORY ACTIVITY AT THE VANILLOID RECEPTOR 1 (VR1). ASTRAZENECA AB (SE) 2004-11-11 WO claimed
EP-1622884-A1 NEW HETEROCYCLIC AMIDES EXHIBITING AN INHIBITORY ACTIVITY AT THE VANILLOID RECEPTOR 1 (VR1). AstraZeneca AB (SE) 2006-02-08 EP disclosed
WO-2004096784-A1 NEW HETEROCYCLIC AMIDES EXHIBITING AN INHIBITORY ACTIVITY AT THE VANILLOID RECEPTOR 1 (VR1). ASTRAZENECA AB (SE) 2004-11-11 WO disclosed