SCHEMBL2854493

SCHEMBL2854493

CCCc1c(C(=O)N(CC)Cc2ccncc2)cnn1-c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 1/20 0.56
ALDH1A1 P00352 4/20 0.48
MAPK1 P28482 2/20 0.48
HSP90AA1 P07900 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MAPT P10636 5/20 0.46
MAPK14 Q16539 1/20 0.45
LMNA P02545 2/20 0.43
GFER P55789 1/20 0.43
USP2 O75604 1/20 0.42
GAA P10253 2/20 0.42
PKM P14618 1/20 0.41
PTPN1 P18031 2/20 0.40
NR3C1 P04150 1/20 0.39
MRGPRX1 Q96LB2 1/20 0.38

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
SCHEMBL2861285 0.84 MAPT (0.46) GPR142ALDH1A1MAPK1HSP90AA1NPSR1
SCHEMBL2856206 0.83 ALDH1A1 (0.48) GPR142ALDH1A1MAPK1HSP90AA1NPSR1
SCHEMBL2852098 0.83 GPR142 (0.52) GPR142ALDH1A1MAPK1MAPTMAPK14
SCHEMBL2850014 0.79 ALDH1A1 (0.50) ALDH1A1MAPK1HSP90AA1NPSR1MAPT
SCHEMBL2855694 0.77 MAPK14 (0.49) ALDH1A1MAPK1HSP90AA1NPSR1MAPT
SCHEMBL2850360 0.77 MAPT (0.61) ALDH1A1MAPK1MAPTMAPK14LMNA
SCHEMBL2079637 0.76 NR4A3 (0.59) ALDH1A1MAPK1NPSR1MAPTMAPK14
SCHEMBL1403169 0.76 MAPT (0.54) ALDH1A1MAPK1NPSR1MAPTMAPK14
SCHEMBL2852033 0.76 LMNA (0.52) GPR142ALDH1A1MAPK1MAPTLMNA
SCHEMBL2852358 0.75 ALDH1A1 (0.48) ALDH1A1MAPK1HSP90AA1NPSR1MAPT

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