SCHEMBL2856274

SCHEMBL2856274

CCCc1c(OC(=O)Nc2ccccc2C)cnn1-c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
PKM P14618 2/20 0.49
LMNA P02545 1/20 0.49
MAPK14 Q16539 7/20 0.49
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 4/20 0.46
MAPK1 P28482 2/20 0.46
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL2852492 0.92 ALDH1A1 (0.53) MAPTPKMLMNAMAPK14ALDH1A1
SCHEMBL2861253 0.89 MAPT (0.53) MAPTPKMLMNAMAPK14ALDH1A1
SCHEMBL2856509 0.87 MAPT (0.48) MAPTPKMLMNAMAPK14CYP1A2
SCHEMBL2853248 0.86 MAPT (0.48) MAPTPKMLMNAMAPK14ALDH1A1
SCHEMBL2854695 0.86 MAPT (0.50) MAPTPKMLMNAMAPK14ALDH1A1
SCHEMBL2852672 0.85 MAPT (0.60) MAPTPKMLMNAMAPK14CYP1A2
SCHEMBL2855792 0.85 MEN1 (0.48) MAPTPKMLMNAALDH1A1MAPK1
SCHEMBL2853491 0.85 ALDH1A1 (0.55) MAPTPKMLMNAMAPK14ALDH1A1
SCHEMBL2860824 0.85 LMNA (0.57) MAPTPKMLMNAMAPK14ALDH1A1
SCHEMBL2856893 0.83 MAPT (0.43) MAPTPKMLMNAMAPK14ALDH1A1

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