Acetonitrile

Acetonitrile

SCHEMBL7701908

CC#N.N#CC(c1ccnc(NCCn2cncn2)n1)c1nc2ccccc2s1

nearest known ligand 0.66

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 11/20 0.66
MAPK9 P45984 10/20 0.66
MAPK8 P45983 2/20 0.61
MGLL Q99685 1/20 0.36
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.35
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
THRB P10828 1/20 0.35
NPY1R P25929 1/20 0.34
NPY2R P49146 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
EGLN3 Q9H6Z9 1/20 0.32
QPCT Q16769 1/20 0.32
CYP26A1 O43174 2/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL2886059 0.97 MAPK10 (0.69) MAPK10MAPK9MAPK8MGLLMEN1
SCHEMBL2886417 0.82 MAPK10 (0.81) MAPK10MAPK9MAPK8MEN1ALDH1A1
Acetonitrile SCHEMBL7707016 0.81 MAPK10 (0.66) MAPK10MAPK9MAPK8MEN1ALDH1A1
SCHEMBL2886459 0.80 MAPK10 (0.70) MAPK10MAPK9MAPK8MEN1ALDH1A1
SCHEMBL2884064 0.80 MAPK10 (0.69) MAPK10MAPK9MAPK8MEN1ALDH1A1
SCHEMBL1518642 0.80 MAPK10 (1.00) MAPK10MAPK9MAPK8MEN1ALDH1A1
SCHEMBL4020743 0.80 MAPK10 (0.81) MAPK10MAPK9MAPK8MEN1ALDH1A1
SCHEMBL4026579 0.80 MAPK10 (0.71) MAPK10MAPK9MAPK8MKNK1
SCHEMBL4024346 0.79 MAPK10 (0.68) MAPK10MAPK9MAPK8MEN1ALDH1A1
SCHEMBL2883660 0.79 MAPK10 (0.68) MAPK10MAPK9MAPK8QPCT

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-1240164-A1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS Applied Research Systems ARS Holding N.V. (AN) 2002-09-18 EP claimed
WO-2001047920-A1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-07-05 WO claimed