SCHEMBL2860246

SCHEMBL2860246

CCCc1c(OC(=O)Nc2cccc(S(C)(=O)=O)c2)cnn1-c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.47
MAPK14 Q16539 3/20 0.46
MAPT P10636 4/20 0.45
GAA P10253 1/20 0.44
LMNA P02545 2/20 0.43
PKM P14618 1/20 0.43
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
KIF18A Q8NI77 1/20 0.38
CCR3 P51677 1/20 0.37

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
SCHEMBL2852555 0.92 MAPK14 (0.54) MAPK14MAPTGAALMNAPKM
SCHEMBL2848681 0.91 MAPT (0.47) CCR1MAPK14MAPTGAALMNA
SCHEMBL2852672 0.85 MAPT (0.60) MAPK14MAPTGAALMNAPKM
SCHEMBL2853390 0.84 CCR1 (0.49) CCR1MAPTGAALMNAPKM
SCHEMBL2855798 0.83 MAPT (0.45) CCR1MAPTLMNAALDH1A1MEN1
SCHEMBL2856261 0.82 MAPT (0.56) MAPK14MAPTGAALMNAPKM
SCHEMBL2853491 0.82 ALDH1A1 (0.55) MAPK14MAPTGAALMNAPKM
SCHEMBL2852439 0.81 MAPT (0.56) MAPK14MAPTGAALMNAPKM
SCHEMBL2860462 0.80 MAPT (0.55) MAPK14MAPTGAALMNAPKM
SCHEMBL2857236 0.79 MAPT (0.54) MAPK14MAPTGAALMNAPKM

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