SCHEMBL5096754

SCHEMBL5096754

CC(C)C(CNc1nccc(C(C#N)c2nc3ccccc3s2)n1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 12/20 0.67
MAPK9 P45984 10/20 0.67
MAPK8 P45983 2/20 0.58
ALOX5 P09917 1/20 0.41
HPGD P15428 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 3/20 0.36
MAPT P10636 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36

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
SCHEMBL7137698 0.96 MAPK10 (0.62) MAPK10MAPK9MAPK8ALOX5HPGD
SCHEMBL5102944 0.85 MAPK10 (0.74) MAPK10MAPK9MAPK8ALOX5HPGD
SCHEMBL5596240 0.83 MAPK10 (0.78) MAPK10MAPK9MAPK8ALOX5HPGD
SCHEMBL4021479 0.83 MAPK10 (0.72) MAPK10MAPK9MAPK8HPGDCYP1A2
SCHEMBL5096760 0.82 MAPK10 (0.64) MAPK10MAPK9MAPK8ALOX5HPGD
SCHEMBL2881183 0.81 MAPK10 (0.76) MAPK10MAPK9MAPK8HPGDMEN1
SCHEMBL4023149 0.81 MAPK10 (0.67) MAPK10MAPK9MAPK8ALOX5HPGD
SCHEMBL1518642 0.81 MAPK10 (1.00) MAPK10MAPK9MAPK8ALOX5HPGD
SCHEMBL2886417 0.81 MAPK10 (0.81) MAPK10MAPK9MAPK8ALOX5MEN1
SCHEMBL2884385 0.80 MAPK10 (0.70) MAPK10MAPK9MAPK8ALOX5HPGD

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
US-7470686-B2 Method of inhibiting the expression and/or the activity of JNK LABORATOIRES SERONO SA (CH) 2008-12-30 US claimed
US-7259162-B2 Benzazole derivatives and their use as JNK modulators APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-08-21 US claimed