Acetamide

Acetamide

SCHEMBL2368476

CC(N)=O.O=C(O)c1cc(-c2ccccc2)ccc1[N+](=O)[O-]

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DTYMK P23919 1/20 0.51
ACMSD Q8TDX5 3/20 0.49
HNF4A P41235 2/20 0.49
DHFR P00374 1/20 0.49
MCL1 Q07820 1/20 0.49
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
ABCB1 P08183 6/20 0.46
IKBKB O14920 1/20 0.46
ABCC1 P33527 4/20 0.46
KCNMA1 Q12791 1/20 0.46
PTPN1 P18031 1/20 0.46
TSHR P16473 1/20 0.45
EIF4E P06730 1/20 0.44

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
SCHEMBL27985266 0.92 DTYMK (0.58) DTYMKACMSDHNF4ADHFRMCL1
SCHEMBL25302339 0.86 ABCB1 (0.52) DTYMKACMSDHNF4ADHFRMCL1
SCHEMBL31232900 0.81 CRHBP (0.46) DTYMKACMSDHNF4ADHFRMCL1
Acetamide SCHEMBL20185440 0.81 TSHR (0.62) DTYMKTSHR
SCHEMBL27908400 0.80 CRHBP (0.51) DTYMKACMSDHNF4ADHFRMCL1
SCHEMBL5384165 0.80 DTYMK (0.55) DTYMKTSHREIF4E
SCHEMBL8372988 0.80 CRHBP (0.51) DTYMKACMSDHNF4ADHFRMCL1
SCHEMBL5193454 0.80 CRHBP (0.59) DTYMKACMSDHNF4ADHFRMCL1
SCHEMBL8372989 0.78 CRHBP (0.53) DTYMKACMSDHNF4ADHFRMCL1
SCHEMBL14283133 0.77 ABCB1 (0.58) ACMSDHNF4ACRHBPCRHR2ABCB1

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
EP-2367940-B1 Mutant penicillin G acylases DSM SINOCHEM PHARM NL BV (NL) 2017-11-22 EP disclosed
US-8541199-B2 Mutant penicillin G acylases DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2013-09-24 US disclosed
US-20110256585-A1 MUTANT PENICILLIN G ACYLASES DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2011-10-20 US disclosed
EP-2367940-A2 MUTANT PENICILLIN G ACYLASES DSM IP Assets B.V. (NL) 2011-09-28 EP disclosed
WO-2010072765-A2 MUTANT PENICILLIN G ACYLASES DSM IP ASSETS B.V. (NL) 2010-07-01 WO disclosed