Cafenstrole

Cafenstrole

SCHEMBL14655384

CCN(CC)C(=O)n1cnc(S(=O)(=O)c2c(C)cc(C)cc2C)n1.O=C(O)C1=NOC(c2ccccc2)(c2ccccc2)C1

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
ITGB3 P05106 2/20 0.31
ITGB1 P05556 2/20 0.31
ITGAV P06756 2/20 0.31
ITGA5 P08648 2/20 0.31
ITGA2B P08514 1/20 0.31
LMNA P02545 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 0.80 KMT2A (0.49) KDM4EALDH1A1KMT2ALMNA
Cafenstrole SCHEMBL2373899 0.74 KDM4E (0.36) KDM4EALDH1A1KMT2ALMNA
SCHEMBL9378261 0.74 DPP4 (0.36) KDM4EALDH1A1KMT2ALMNA
SCHEMBL5381321 0.71 ALDH1A1 (0.42) KDM4EALDH1A1KMT2A
SCHEMBL5381790 0.71 ALDH1A1 (0.40) KDM4EALDH1A1KMT2A
Cafenstrole SCHEMBL6440340 0.70 KDM4E (0.38) KDM4EALDH1A1KMT2A
Cafenstrole SCHEMBL2372948 0.70 DPP4 (0.42) KDM4EALDH1A1KMT2A
SCHEMBL5376972 0.69 ALDH1A1 (0.45) KDM4EALDH1A1KMT2A
Cafenstrole SCHEMBL2373017 0.69 ALDH1A1 (0.39) KDM4EALDH1A1KMT2ALMNA
SCHEMBL5378985 0.68 ALDH1A1 (0.38) KDM4EALDH1A1KMT2A

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-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-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-2550271-A1 SUBSTITUTED PYRIDINES 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-2550280-A1 PYRIDOTHIAZINES 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-2550270-A1 SUBSTITUTED PYRIDAZINES HAVING HERBICIDAL ACTION BASF SE (DE) 2013-01-30 EP disclosed