SCHEMBL29036633

SCHEMBL29036633

Cc1cc(C)c([N+](=O)[O-])cc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
GPR35 Q9HC97 2/20 0.40
TSHR P16473 6/20 0.38
CYP3A4 P08684 2/20 0.38
RECQL P46063 1/20 0.38
MAPT P10636 3/20 0.36
CYP1A2 P05177 3/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
HSD17B10 Q99714 1/20 0.34
GAA P10253 2/20 0.34
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL1771630 0.94 ALDH1A1 (0.40) ALDH1A1GPR35TSHRCYP3A4RECQL
SCHEMBL31073841 0.86 ALDH1A1 (0.39) ALDH1A1GPR35TSHRCYP3A4RECQL
SCHEMBL25983923 0.86 ESPL1 (0.43) ALDH1A1GPR35CYP3A4RECQLMAPT
SCHEMBL5823781 0.86 CYP1A2 (0.48) ALDH1A1GPR35TSHRCYP3A4RECQL
SCHEMBL23850271 0.79 GAA (0.51) ALDH1A1CYP3A4MAPTCYP1A2CYP2C9
SCHEMBL26622502 0.78 MAPK1 (0.38) MAPK1
SCHEMBL20249713 0.78 HSD17B10 (0.41) ALDH1A1TSHRMAPTHSD17B10GAA
SCHEMBL1546281 0.78 PDK1 (0.39) ALDH1A1GPR35MAPTCYP1A2GAA
SCHEMBL29687732 0.77 ALDH1A1 (0.53) ALDH1A1GPR35TSHRCYP3A4MAPT
SCHEMBL527946 0.77 ALDH1A1 (0.53) ALDH1A1GPR35TSHRCYP3A4MAPT

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
EP-4714942-A1 SUBSTITUTED HALOALKYL SULFONANILIDE HERBICIDES FMC Corporation (US) 2026-03-25 EP disclosed
EP-4188093-B9 SUBSTITUTED HALOALKYL SULFONANILIDE HERBICIDES FMC CORP (US) 2025-12-03 EP disclosed
EP-4188093-B1 SUBSTITUTED HALOALKYL SULFONANILIDE HERBICIDES FMC CORP (US) 2025-09-03 EP disclosed
EP-4188093-A1 SUBSTITUTED HALOALKYL SULFONANILIDE HERBICIDES FMC Corporation (US) 2023-06-07 EP disclosed
CN-116056575-A Substituted haloalkylsulfonanilide herbicides FMC公司 2023-05-02 CN disclosed