SCHEMBL2853458

SCHEMBL2853458

Cc1c(OC(=O)Nc2cccc(S(C)(=O)=O)c2)cnn1-c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SCN10A Q9Y5Y9 1/20 0.44
NR1H4 Q96RI1 1/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
LMNA P02545 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
AOC3 Q16853 1/20 0.40
MET P08581 1/20 0.40
AXL P30530 1/20 0.40
CA12 O43570 1/20 0.39
CA9 Q16790 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
SCHEMBL2857182 0.91 RAB9A (0.48) CCR1NPC1RAB9ANR1H4LMNA
SCHEMBL2855794 0.89 RAB9A (0.48) CCR1NPC1RAB9ANR1H4CA1
SCHEMBL2856385 0.88 CCR1 (0.44) CCR1RAB9ASCN10ACA1CA2
SCHEMBL2862974 0.80 KEAP1 (0.50) NPC1RAB9ANR1H4LMNARXFP1
SCHEMBL2856588 0.79 KEAP1 (0.42) CCR1CA1CA2LMNARXFP1
SCHEMBL2855716 0.79 KEAP1 (0.46) NPC1RAB9ASCN10ANR1H4LMNA
SCHEMBL2855798 0.79 MAPT (0.45) CCR1CA1CA2CA4CA7
SCHEMBL2856177 0.79 ITGB1 (0.46) CCR1SCN10ACA1CA2LMNA
SCHEMBL2860990 0.79 KEAP1 (0.43) CCR1SCN10ANR1H4LMNARXFP1
SCHEMBL2861572 0.78 CA1 (0.49) CA1CA2CA4CA7CA12

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-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed