Acetonitrile

Acetonitrile

SCHEMBL6315753

CC#N.COc1cc(C)c(OC)cc1C

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.47
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 2/20 0.42
USP2 O75604 1/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
EGFR P00533 1/20 0.39
ACHE P22303 2/20 0.39
GAA P10253 2/20 0.38
GLA P06280 1/20 0.38
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38
AR P10275 1/20 0.38
ATM Q13315 1/20 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
SCHEMBL2954181 0.86 TAAR1 (0.56) TAAR1MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL13387367 0.81 ALDH1A1 (0.46) TAAR1KDM4EALDH1A1USP2AR
SCHEMBL1039728 0.81 AR (0.54) KDM4EALDH1A1USP2AR
SCHEMBL3677762 0.80 TAAR1 (0.52) TAAR1MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL8269049 0.80 TAAR1 (0.52) TAAR1MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL14566650 0.80 TAAR1 (0.44) TAAR1MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL12330214 0.77 TAAR1 (0.48) TAAR1MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL957051 0.77 MAPT (0.47) TAAR1MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL12326171 0.76 TAAR1 (0.48) TAAR1MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL14507701 0.76 TAAR1 (0.48) TAAR1MAPTSMN1; SMN2KDM4EALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6872718-B1 Tricyclic dihydrobenzofuran derivatives, process for the preparation thereof and agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-03-29 US disclosed
EP-1211253-B1 TRICYCLIC DIHYDROBENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-10-13 EP disclosed
EP-1211253-A1 TRICYCLIC DIHYDROBENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS Takeda Chemical Industries, Ltd. (JP) 2002-06-05 EP disclosed
CN-1024659-C Phenol derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1994-05-25 CN disclosed
CN-1032001-A The manufacturing of phenol derivatives and application TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1989-03-29 CN disclosed