Benoxacor

Benoxacor

SCHEMBL14655393

CC1COc2ccccc2N1C(=O)C(Cl)Cl.C[n+]1ccc(-c2cc[n+](C)cc2)cc1.[Cl-].[Cl-]

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of Benoxacor. 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
ALDH1A1 P00352 3/20 0.55
GAA P10253 2/20 0.55
HTT P42858 1/20 0.55
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
MAPT P10636 1/20 0.47
HSD11B1 P28845 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
HCRTR2 O43614 1/20 0.35
KIF11 P52732 1/20 0.34
DGAT1 O75907 1/20 0.34
POLB P06746 1/20 0.34

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
Benoxacor SCHEMBL122820 0.88 ALDH1A1 (0.67) ALDH1A1GAAHTTMEN1KMT2A
Benoxacor SCHEMBL29419104 0.88 ALDH1A1 (0.67) ALDH1A1GAAHTTMEN1KMT2A
Benoxacor SCHEMBL3674598 0.88 ALDH1A1 (0.67) ALDH1A1GAAHTTMEN1KMT2A
Benoxacor SCHEMBL29963816 0.88 ALDH1A1 (0.67) ALDH1A1GAAHTTMEN1KMT2A
SCHEMBL10636883 0.80 MEN1 (0.61) ALDH1A1GAAHTTMEN1KMT2A
SCHEMBL12308336 0.77 MEN1 (0.60) ALDH1A1GAAHTTMEN1KMT2A
SCHEMBL16144910 0.74 MEN1 (0.67) ALDH1A1GAAHTTMEN1KMT2A
Benoxacor SCHEMBL2372614 0.73 ALDH1A1 (0.52) ALDH1A1GAAHTTMEN1KMT2A
SCHEMBL10636439 0.72 HTT (0.47) ALDH1A1GAAHTTMEN1KMT2A
SCHEMBL10910624 0.72 ALDH1A1 (0.47) ALDH1A1GAAHTTMEN1KMT2A

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3630735-A1 BENZAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES II BASF SE (DE) 2020-04-08 EP disclosed
EP-3630734-A1 BENZAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2020-04-08 EP disclosed
WO-2019016385-A1 BENZAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2019-01-24 WO disclosed
WO-2018234371-A1 BENZAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2018-12-27 WO disclosed
WO-2018219936-A1 BENZAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES II BASF SE (DE) 2018-12-06 WO disclosed
WO-2018219935-A1 BENZAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2018-12-06 WO disclosed
EP-3055297-A1 SUBSTITUTED N-(TETRAZOL-5-YL)- AND N-(TRIAZOL-5-YL)ARYLCARBOXAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2016-08-17 EP disclosed
EP-3055305-A1 SUBSTITUTED 1,2,5-OXADIAZOLE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2016-08-17 EP disclosed
EP-3022190-A1 SUBSTITUTED N-(1,2,4-TRIAZOL-3-YL)ARYLCARBOXAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2016-05-25 EP disclosed
EP-2997016-A1 SUBSTITUTED N-(TETRAZOL-5-YL)- AND N-(TRIAZOL-5-YL)ARYLCARBOXAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2016-03-23 EP disclosed
WO-2013072450-A1 SUBSTITUTED 1,2,5-OXADIAZOLE COMPOUNDS AND THEIR USE AS HERBICIDES III BASF SE (DE) 2013-05-23 WO disclosed
WO-2013072402-A1 SUBSTITUTED 1,2,5-OXADIAZOLE COMPOUNDS AND THEIR USE AS HERBICIDES II BASF SE (DE) 2013-05-23 WO disclosed
WO-2013072300-A1 SUBSTITUTED 1,2,5-OXADIAZOLE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2013-05-23 WO disclosed
WO-2013072528-A2 SUBSTITUTED N-(TETRAZOL-5-YL)- AND N-(TRIAZOL-5-YL)PYRIDIN-3-YL-CARBOXAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2013-05-23 WO disclosed
EP-2550276-A1 SUBSTITUTED PYRIDINES HAVING HERBICIDAL ACTION BASF SE (DE) 2013-01-30 EP disclosed
EP-2550270-A1 SUBSTITUTED PYRIDAZINES HAVING HERBICIDAL ACTION BASF SE (DE) 2013-01-30 EP disclosed
EP-2550280-A1 PYRIDOTHIAZINES HAVING HERBICIDAL ACTION BASF SE (DE) 2013-01-30 EP disclosed
EP-2550271-A1 SUBSTITUTED PYRIDINES HAVING HERBICIDAL ACTION BASF SE (DE) 2013-01-30 EP disclosed
EP-2550279-A1 PYRAZINOTHIAZINES HAVING HERBICIDAL ACTION BASF SE (DE) 2013-01-30 EP disclosed
EP-2550277-A1 SUBSTITUTED PYRIDAZINES HAVING HERBICIDAL ACTION BASF SE (DE) 2013-01-30 EP disclosed