Cafenstrole

Cafenstrole

SCHEMBL2373017

CC1COc2ccccc2N1C(=O)C(Cl)Cl.CCN(CC)C(=O)n1cnc(S(=O)(=O)c2c(C)cc(C)cc2C)n1

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.38
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
KDM4E B2RXH2 1/20 0.35
HSD11B1 P28845 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
P2RX4 Q99571 1/20 0.31
RIPK1 Q13546 1/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
Cafenstrole SCHEMBL54625 0.76 KMT2A (0.49) ALDH1A1MAPTKMT2AMEN1KDM4E
Benoxacor SCHEMBL29963816 0.72 ALDH1A1 (0.67) ALDH1A1GAAHTTMAPTKMT2A
Benoxacor SCHEMBL3674598 0.72 ALDH1A1 (0.67) ALDH1A1GAAHTTMAPTKMT2A
Benoxacor SCHEMBL122820 0.72 ALDH1A1 (0.67) ALDH1A1GAAHTTMAPTKMT2A
Benoxacor SCHEMBL29419104 0.72 ALDH1A1 (0.67) ALDH1A1GAAHTTMAPTKMT2A
Cafenstrole SCHEMBL2372948 0.71 DPP4 (0.42) ALDH1A1KMT2AKDM4E
SCHEMBL9378261 0.70 DPP4 (0.36) ALDH1A1HTTKMT2AMEN1KDM4E
Cafenstrole SCHEMBL14655384 0.69 KDM4E (0.36) ALDH1A1KMT2AKDM4ELMNA
Triallate SCHEMBL2373517 0.68 ALDH1A1 (0.51) ALDH1A1GAAHTTMAPTKMT2A
SCHEMBL5381790 0.68 ALDH1A1 (0.40) ALDH1A1MAPTKMT2AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3630734-A1 BENZAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2020-04-08 EP disclosed
EP-3630735-A1 BENZAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES II 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-2018219935-A1 BENZAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2018-12-06 WO disclosed
WO-2018219936-A1 BENZAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES II 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-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
WO-2013072450-A1 SUBSTITUTED 1,2,5-OXADIAZOLE COMPOUNDS AND THEIR USE AS HERBICIDES III 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-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-2550270-A1 SUBSTITUTED PYRIDAZINES 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
EP-2550279-A1 PYRAZINOTHIAZINES HAVING HERBICIDAL ACTION BASF SE (DE) 2013-01-30 EP disclosed
WO-2011117152-A1 PYRIDOTHIAZINES HAVING HERBICIDAL ACTION BASF SE (DE) 2011-09-29 WO disclosed