SCHEMBL2860467

SCHEMBL2860467

CCCc1c(OC(=O)Nc2cccc(C#N)c2)cnn1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.54
MAPT P10636 5/20 0.46
GAA P10253 2/20 0.46
ALDH1A1 P00352 8/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
RAB9A P51151 1/20 0.44
LMNA P02545 3/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 4/20 0.42
POLB P06746 1/20 0.42
RXFP1 Q9HBX9 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
SCHEMBL2853414 0.89 MAPK14 (0.55) MAPK14MAPTGAAALDH1A1NPSR1
SCHEMBL2856997 0.87 ALDH1A1 (0.57) MAPK14MAPTGAAALDH1A1RAB9A
SCHEMBL2852555 0.83 MAPK14 (0.54) MAPK14MAPTGAAALDH1A1RAB9A
SCHEMBL2856278 0.83 MAPT (0.56) MAPK14MAPTGAAALDH1A1NPSR1
SCHEMBL2857883 0.81 MAPT (0.44) MAPK14MAPTGAAALDH1A1RAB9A
SCHEMBL2848492 0.81 ALDH1A1 (0.47) MAPTALDH1A1TP53TSHRNPSR1
SCHEMBL2850541 0.81 MAPT (0.58) MAPTGAAALDH1A1TP53HSD17B10
SCHEMBL2853491 0.80 ALDH1A1 (0.55) MAPK14MAPTGAAALDH1A1RAB9A
SCHEMBL2854719 0.80 MAPT (0.55) MAPK14MAPTGAAALDH1A1TP53
SCHEMBL2852391 0.80 MAPT (0.52) MAPK14MAPTGAAALDH1A1TSHR

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