SCHEMBL4028749

SCHEMBL4028749

CSc1ccc(C(C)=O)c(Cl)c1C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALOX15 P16050 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
LMNA P02545 2/20 0.31
TAS1R3 Q7RTX0 2/20 0.30
TAS1R1 Q7RTX1 2/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
AHR P35869 1/20 0.30
CYP3A4 P08684 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30
GAA P10253 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
SCHEMBL32668958 1.00 SMN1; SMN2 (0.36) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL22859614 0.81 SMN1; SMN2 (0.43) SMN1; SMN2MAPTALDH1A1NPC1RAB9A
SCHEMBL27452632 0.81 HSP90AB1 (0.39) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL6585808 0.76 MAPT (0.39) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL16019011 0.76 SMN1; SMN2 (0.35) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL2496346 0.75 CYP1A2 (0.41) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL6243876 0.75 MAPT (0.43) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL3773890 0.74 TSHR (0.37) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL30978700 0.74 TSHR (0.37) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL12384997 0.73 ALDH1A1 (0.38) SMN1; SMN2MAPTALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117886724-A Synthesis method of 2-chloro-3-methyl-4-methylsulfonyl benzoic acid 江苏好收成韦恩农化股份有限公司 2024-04-16 CN claimed
CN-117886724-A Synthesis method of 2-chloro-3-methyl-4-methylsulfonyl benzoic acid 江苏好收成韦恩农化股份有限公司 2024-04-16 CN disclosed
CN-112409226-B Substituted benzoyl compounds and application thereof 东莞市东阳光农药研发有限公司 2024-04-05 CN disclosed
CN-112409263-B Substituted benzoyl compounds and application thereof 东莞市东阳光农药研发有限公司 2024-04-05 CN disclosed
CN-116377205-A Quick quenching temperature changing device 中南林业科技大学 2023-07-04 CN disclosed
CN-115232039-B Preparation method of 3-methyl-2-chloro-4-methylsulfonyl methyl benzoate 启农生物科技(北京)有限公司(CN) 2023-01-13 CN disclosed
CN-115232039-A Preparation method of 3-methyl-2-chloro-4-methylsulfonyl methyl benzoate 启农生物科技(北京)有限公司 2022-10-25 CN disclosed
WO-2021036845-A1 SUBSTITUTED BENZOYL COMPOUND AND APPLICATION THEREOF 东莞市东阳光农药研发有限公司 2021-03-04 WO disclosed
WO-2021000736-A1 SUBSTITUTED BENZOYL-PYRAZOLE COMPOUND, AND APPLICATION THEREOF IN AGRICULTURE 东莞市东阳光农药研发有限公司 2021-01-07 WO disclosed
US-9045465-B1 3-heterocyclyl-substituted benzoyl derivatives BASF SE (DE) 2015-06-02 US disclosed
US-5834402-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-11-10 US disclosed
WO-1998031681-A1 3-HETEROCYCLYL-SUBSTITUTED BENZOYL DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1998-07-23 WO disclosed
WO-1998031682-A1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-07-23 WO disclosed
WO-1998029383-A1 3-AMINOCARBONYL/3-AMINOTHIOCARBONYL-SUBSTITUTED 2-BENZOYL- CYCLOHEXAN-1,3-DIONES WITH HERBICIDAL EFFECT BASF AKTIENGESELLSCHAFT (DE) 1998-07-09 WO disclosed
WO-1998029392-A1 SUBSTITUTED 4-BENZOYL-PYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 1998-07-09 WO disclosed
WO-1998029384-A1 SUBSTITUTED 2-BENZOYL-CYCLOHEXAN-1,3-DIONES WITH HERBICIDAL EFFECT BASF AKTIENGESELLSCHAFT (DE) 1998-07-09 WO disclosed
EP-0810998-A1 PHENYL DIKETONE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1997-12-10 EP disclosed
WO-1996026193-A1 PHENYL DIKETONE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1996-08-29 WO disclosed
WO-1996026192-A1 ISOXAZOLYL-BENZOYL DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1996-08-29 WO disclosed
WO-1996026200-A1 HERBICIDAL BENZOYL DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1996-08-29 WO disclosed