SCHEMBL2852098

SCHEMBL2852098

CCCc1c(C(=O)N(CC)Cc2ccccc2)cnn1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 1/20 0.52
ALDH1A1 P00352 8/20 0.52
MAPT P10636 5/20 0.52
MAPK1 P28482 5/20 0.52
GAA P10253 2/20 0.52
NR4A3 Q92570 1/20 0.51
TSHR P16473 1/20 0.51
POLB P06746 1/20 0.49
MAPK14 Q16539 2/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL16615588 0.85 ALDH1A1 (0.66) GPR142ALDH1A1MAPTMAPK1GAA
SCHEMBL2854493 0.83 GPR142 (0.56) GPR142ALDH1A1MAPTMAPK1GAA
SCHEMBL2857391 0.81 ALDH1A1 (0.48) ALDH1A1MAPTMAPK1GAANR4A3
SCHEMBL1284837 0.81 LPAR1 (0.62) NR4A3
SCHEMBL2850014 0.80 ALDH1A1 (0.50) ALDH1A1MAPTMAPK1GAANR4A3
SCHEMBL773204 0.80 NR4A3 (0.78) ALDH1A1MAPTMAPK1GAANR4A3
SCHEMBL13593554 0.79 ALDH1A1 (0.63) ALDH1A1MAPTMAPK1GAANR4A3
SCHEMBL16615523 0.78 ALDH1A1 (0.72) ALDH1A1MAPTMAPK1POLB
SCHEMBL2855694 0.78 MAPK14 (0.49) ALDH1A1MAPTMAPK1GAAMAPK14
SCHEMBL27808 0.77 NR4A3 (0.61) ALDH1A1MAPTMAPK1GAANR4A3

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