SCHEMBL6607515

SCHEMBL6607515

CCSCc1c(S(C)(=O)=O)ccc(C(=O)OC)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.38
ALDH1A1 P00352 3/20 0.37
TSHR P16473 2/20 0.37
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
POLB P06746 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
VCAM1 P19320 1/20 0.36
CA2 P00918 2/20 0.35
CA1 P00915 1/20 0.35
CA5A P35218 1/20 0.35
CA9 Q16790 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HSD17B10 Q99714 1/20 0.35
CDK1 P06493 1/20 0.35
KMT2A Q03164 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
MEN1 O00255 2/20 0.34

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
SCHEMBL6610928 0.85 LMNA (0.38) ALDH1A1TSHRMAPTKDM4EHPGD
SCHEMBL29246879 0.83 CA2 (0.39) ABL1ALDH1A1TSHRMAPTKDM4E
SCHEMBL29246851 0.83 VCAM1 (0.39) ABL1ALDH1A1TSHRMAPTKDM4E
SCHEMBL3437073 0.82 CDK1 (0.40) ABL1ALDH1A1TSHRMAPTKDM4E
SCHEMBL9075730 0.82 VCAM1 (0.38) ABL1ALDH1A1TSHRMAPTKDM4E
SCHEMBL3436911 0.80 VCAM1 (0.39) ABL1ALDH1A1TSHRMAPTKDM4E
SCHEMBL9078784 0.79 KDM4E (0.36) ABL1ALDH1A1TSHRMAPTKDM4E
SCHEMBL9078381 0.79 ALDH1A1 (0.39) ABL1ALDH1A1TSHRMAPTKDM4E
SCHEMBL4268094 0.79 KDM4E (0.44) ABL1ALDH1A1TSHRMAPTKDM4E
SCHEMBL6752534 0.77 CDK1 (0.36) ABL1ALDH1A1TSHRMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0990649-B1 BENZOYLPYRAZOLE DERIVATIVES HAVING SPECIFIED SUBSTITUENTS AND HERBICIDES NIPPON SODA CO (JP) 2004-05-12 EP disclosed
US-5807806-A Benzoylpyrazole derivatives having specific substituents and herbicide NIPPON SODA CO., LTD. (JP) 1998-09-15 US disclosed
EP-0282944-B1 Pyrazole derivative and herbicide containing it NISSAN CHEMICAL IND LTD (JP) 1996-09-11 EP disclosed
US-5175299-A Benzoic acid derivatives useful as intermediates for the preparation of herbicidal 4-benzoylpyrazoles NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-29 US disclosed
US-4948887-A FOR UPLAND FIELDS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1990-08-14 US disclosed
US-4885022-A Herbicidal pyrazole derivatives NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1989-12-05 US disclosed
EP-0282944-A2 Pyrazole derivative and herbicide containing it NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1988-09-21 EP disclosed