SCHEMBL2852391

SCHEMBL2852391

CCCc1c(OC(=O)Nc2ccc(C#N)cc2)cnn1-c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.52
MAPK14 Q16539 2/20 0.44
LMNA P02545 2/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
NLRP3 Q96P20 1/20 0.44
ALDH1A1 P00352 3/20 0.42
PKM P14618 1/20 0.41
CNR1 P21554 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.40
POLB P06746 1/20 0.39
GAA P10253 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
P2RY12 Q9H244 1/20 0.37
NR3C1 P04150 2/20 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
SCHEMBL2852672 0.92 MAPT (0.60) MAPTMAPK14LMNAALDH1A1PKM
SCHEMBL2853414 0.90 MAPK14 (0.55) MAPTMAPK14LMNAALDH1A1PKM
SCHEMBL2856552 0.87 MAPT (0.53) MAPTLMNATSHRALDH1A1PKM
SCHEMBL2860462 0.87 MAPT (0.55) MAPTMAPK14LMNAHTTALDH1A1
SCHEMBL2853491 0.87 ALDH1A1 (0.55) MAPTMAPK14LMNAALDH1A1PKM
SCHEMBL2857236 0.86 MAPT (0.54) MAPTMAPK14LMNAALDH1A1PKM
SCHEMBL2852439 0.86 MAPT (0.56) MAPTMAPK14LMNAALDH1A1PKM
SCHEMBL2857246 0.85 MAPT (0.57) MAPTMAPK14LMNAALDH1A1PKM
SCHEMBL2856261 0.83 MAPT (0.56) MAPTMAPK14LMNATSHRALDH1A1
SCHEMBL2859079 0.83 MAPT (0.60) MAPTLMNAHTTALDH1A1RAB9A

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