Acetamide

Acetamide

SCHEMBL6843069

CC(N)=O.COS(=O)(=O)O

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of Acetamide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 3/20 0.50
LMNA P02545 1/20 0.50
ALOX15 P16050 1/20 0.50
PMP22 Q01453 1/20 0.50
CA2 P00918 3/20 0.42
CA1 P00915 2/20 0.42
TSHR P16473 4/20 0.37
ALDH1A1 P00352 2/20 0.37
USP2 O75604 1/20 0.37
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 2/20 0.33
NT5E P21589 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CYP2D6 P10635 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
Acetone SCHEMBL27777446 0.87 LMNA (0.43) LMNACA2CA1TSHRALDH1A1
Acetamidine SCHEMBL6287555 0.85 BLM (0.43) BLMLMNAALOX15PMP22CA2
Acetic Acid SCHEMBL11016035 0.84 FFAR3 (0.47) LMNACA2CA1TSHRALDH1A1
SCHEMBL975520 0.84 TDP1 (0.60) BLMLMNAALOX15PMP22CA2
Hydroxyamine SCHEMBL27900806 0.83
Hydrazine SCHEMBL679587 0.83
Methylamine SCHEMBL143865 0.83
SCHEMBL27346657 0.83 TSHR (0.50) CA2CA1TSHRALDH1A1USP2
SCHEMBL5991 0.83
SCHEMBL27308161 0.83 TSHR (0.50) CA2CA1TSHRALDH1A1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6764613-B2 FOR USE IN BLEACHING AND CLEANING MID-AMERICA COMMERCIALIZATION CORPORATION 2004-07-20 US disclosed
US-6235218-B1 REACTING HETEROCYCLIC AMINE WITH MONOALDEHYDE OR DIALDEHYDE AND HYDROGEN CYANIDE OR ALKALI METAL CYANIDE IN AQUEOUS MEDIUM, QUATERNIZING AMINE WITH ALKYLATING AGENT AT PH CONTROLLED TO PREVENT FORMATION OF PROTONATED INTERMEDIATE THE CLOROX COMPANY 2001-05-22 US disclosed
US-6183665-B1 BLEACHING THE CLOROX COMPANY 2001-02-06 US disclosed