Butralin

Butralin

SCHEMBL8539399

CCC(C)Nc1c([N+](=O)[O-])cc(C(C)(C)C)cc1[N+](=O)[O-].CCC(C)Nc1c([N+](=O)[O-])cc(C(C)(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.70
L3MBTL1 Q9Y468 4/20 0.70
CYP3A4 P08684 3/20 0.70
CYP1A2 P05177 1/20 0.70
CYP2C9 P11712 1/20 0.70
CYP2C19 P33261 1/20 0.70
HCAR3 P49019 4/20 0.47
TDP1 Q9NUW8 7/20 0.42
MAPT P10636 6/20 0.42
GAA P10253 3/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GLP1R P43220 1/20 0.39
HPGD P15428 2/20 0.39
GPR35 Q9HC97 1/20 0.39
MAPK1 P28482 4/20 0.38
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
GLA P06280 1/20 0.37

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
Butralin SCHEMBL55786 1.00 ALDH1A1 (0.70) ALDH1A1L3MBTL1CYP3A4CYP1A2CYP2C9
SCHEMBL28980375 0.90 ALDH1A1 (0.58) ALDH1A1L3MBTL1CYP3A4CYP1A2CYP2C9
SCHEMBL989788 0.86 ALDH1A1 (0.51) ALDH1A1L3MBTL1CYP3A4CYP1A2CYP2C9
SCHEMBL11601300 0.84 ALDH1A1 (0.47) ALDH1A1L3MBTL1CYP3A4CYP1A2CYP2C9
Butralin SCHEMBL9674563 0.82 ALDH1A1 (0.52) ALDH1A1L3MBTL1CYP3A4CYP1A2CYP2C9
SCHEMBL11576321 0.81 ALDH1A1 (0.74) ALDH1A1L3MBTL1CYP3A4CYP1A2CYP2C9
Benfluralin SCHEMBL4901640 0.80 MAPT (0.69) ALDH1A1L3MBTL1CYP3A4CYP1A2CYP2C9
Butralin SCHEMBL9382926 0.79 ALDH1A1 (0.46) ALDH1A1L3MBTL1CYP3A4CYP1A2CYP2C9
SCHEMBL28177597 0.78 ALDH1A1 (0.43) ALDH1A1L3MBTL1CYP3A4CYP1A2CYP2C9
SCHEMBL11576075 0.78 MAPT (0.47) ALDH1A1L3MBTL1CYP3A4CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0574418-B1 ARYL SULPHONYL UREA COMPOUNDS, A METHOD OF PREPARING THEM, AND THEIR USE AS HERBICIDES AND GROWTH REGULATORS HOECHST SCHERING AGREVO GMBH (DE) 1998-11-11 EP disclosed
US-5688745-A Arylsulfonylureas and their use as herbicides and growth regulators HOECHST AKTIENGESELLSCHAFT (DE) 1997-11-18 US disclosed
US-5463081-A Chemical intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1995-10-31 US disclosed
EP-0546082-A1 HERBICIDAL PYRROLESULFONYLUREAS. DU PONT (US) 1993-06-16 EP disclosed
WO-1992009587-A1 HERBICIDAL OXAZINE ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-06-11 WO disclosed
WO-1992004827-A1 HERBICIDAL SUBSTITUTED BICYCLIC TRIAZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-04-02 WO disclosed