Acetohexamide

Acetohexamide

SCHEMBL13723464

CC(=O)c1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1.COCCOc1cnc(NS(=O)(=O)c2ccccc2)nc1

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC8KCNJ11

The experimentally established mechanism targets of Acetohexamide. 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
▸ LMNA P02545 2/20 0.60
▸ TSHR P16473 2/20 0.60
▸ BLM P54132 2/20 0.60
▸ TDP1 Q9NUW8 2/20 0.60
▸ ALDH1A1 P00352 2/20 0.60
▸ THRB P10828 1/20 0.60
▸ HRH3 Q9Y5N1 5/20 0.50
▸ PPARG P37231 3/20 0.49
▸ ADORA3 P0DMS8 1/20 0.47
▸ CYP3A4 P08684 1/20 0.45
▸ HTR1A P08908 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ CNR1 P21554 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ ADRA1A P35348 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 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
Acetohexamide SCHEMBL15669221 0.78 ALDH1A1 (1.00) LMNATSHRBLMTDP1ALDH1A1
Acetohexamide SCHEMBL37620 0.78 ALDH1A1 (1.00) LMNATSHRBLMTDP1ALDH1A1
Glymidine SCHEMBL34389 0.76 TDP1 (0.56) LMNATSHRTDP1ALDH1A1MAPT
Glymidine SCHEMBL209818 0.75 TDP1 (0.55) LMNATSHRTDP1ALDH1A1MAPT
Glymidine SCHEMBL27852481 0.75 TDP1 (0.55) LMNATSHRTDP1ALDH1A1MAPT
SCHEMBL874584 0.73 ADORA3 (0.74) LMNATSHRBLMTDP1ALDH1A1
SCHEMBL4863686 0.72 HRH3 (0.69) LMNATSHRBLMTDP1ALDH1A1
SCHEMBL25258250 0.72 ADORA3 (0.71) LMNATSHRBLMTDP1ALDH1A1
Acetohexamide SCHEMBL14660013 0.68 ALDH1A1 (0.72) LMNATSHRBLMTDP1ALDH1A1
SCHEMBL5315570 0.67 HDAC3 (0.68) LMNAALDH1A1MEN1KMT2ALIMK2

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
CN-103717597-B Heterocyclic compounds as kinase inhibitors 原真股份有限公司 2017-07-04 — — CN disclosed
EP-2699579-A1 PYRAZOLO [4, 3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS Origenis GmbH (DE) 2014-02-26 — — EP disclosed
EP-2699572-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Origenis GmbH (DE) 2014-02-26 — — EP disclosed
WO-2012143143-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2012-10-26 — — WO disclosed
WO-2012143144-A1 PYRAZOLO [4, 3-D] PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2012-10-26 — — WO disclosed
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