Acetonitrile

Acetonitrile

SCHEMBL7707450

CC#N.N#CCC1C=CN=C(OCc2ccccc2)N1c1nc2ccccc2s1

nearest known ligand 0.38

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38
PTGS1 P23219 3/20 0.36
PTGS2 P35354 3/20 0.36
MEN1 O00255 6/20 0.35
KMT2A Q03164 6/20 0.35
RAB9A P51151 4/20 0.35
NPC1 O15118 3/20 0.35
MAPT P10636 4/20 0.34
LMNA P02545 3/20 0.34
KDM4E B2RXH2 2/20 0.33
USP2 O75604 1/20 0.33
THRB P10828 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
MCL1 Q07820 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PPARG P37231 1/20 0.33

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
SCHEMBL4190547 0.97 MAPK9 (0.39) MAPK9MAPK10PTGS1PTGS2MEN1
SCHEMBL5613992 0.91 PTGS1 (0.36) MAPK9MAPK10PTGS1PTGS2MEN1
SCHEMBL4203404 0.91 PTGS1 (0.36) MAPK9MAPK10PTGS1PTGS2MEN1
SCHEMBL7707443 0.90 RAB9A (0.44) MAPK9MAPK10PTGS1PTGS2MEN1
SCHEMBL7710188 0.90 LMNA (0.40) MAPK9MAPK10MEN1KMT2ARAB9A
SCHEMBL4197321 0.89 RAB9A (0.49) MAPK9MAPK10PTGS1PTGS2MEN1
SCHEMBL7707665 0.89 NAAA (0.39) MAPK9MAPK10PTGS1PTGS2MEN1
SCHEMBL4192595 0.88 MAPK9 (0.36) MAPK9MAPK10PTGS1PTGS2MEN1
SCHEMBL4193807 0.87 PTGS1 (0.35) MAPK9MAPK10PTGS1PTGS2MEN1
SCHEMBL4197270 0.87 PTGS1 (0.36) MAPK9MAPK10PTGS1PTGS2MEN1

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