SCHEMBL9079062

SCHEMBL9079062

COC(=O)c1c(S(C)(=O)=O)ccc(C(=O)O)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.40
LMNA P02545 2/20 0.40
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CA5A P35218 1/20 0.36
ABL1 P00519 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CA12 O43570 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CDK1 P06493 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL17859583 0.88 VCAM1 (0.40) VCAM1LMNACA1CA2CA9
SCHEMBL4278676 0.88 VCAM1 (0.40) VCAM1LMNACA1CA2CA9
SCHEMBL9640727 0.85 LMNA (0.45) LMNACA1CA2CA9CA5A
SCHEMBL9079067 0.84 CA12 (0.41) LMNACA1CA2CA9SMN1; SMN2
SCHEMBL8489212 0.83 VCAM1 (0.40) VCAM1LMNACA1CA2CA9
SCHEMBL8132228 0.83 LMNA (0.42) LMNACA1CA2CA9CA5A
SCHEMBL4279013 0.82 VCAM1 (0.40) VCAM1LMNACA1CA2CA9
SCHEMBL4267413 0.81 CA2 (0.42) VCAM1CA1CA2CA9CA5A
SCHEMBL16825561 0.80 CCR2 (0.41) VCAM1LMNACA1CA2CA9
SCHEMBL9448542 0.80 VCAM1 (0.40) VCAM1LMNACA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0282944-B1 Pyrazole derivative and herbicide containing it NISSAN CHEMICAL IND LTD (JP) 1996-09-11 EP disclosed
CN-1023011-C Herbicide composition containing pyrazole derivative NISSAN CHEMICAL IND LTD (JP) 1993-12-08 CN 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-5094685-A SUBSTITUTED BENZOYL DERIVATIVES AND SELECTIVE HERBICIDES NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1992-03-10 US disclosed
US-4954165-A Substituted benzoyl derivatives and selective herbicides NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1990-09-04 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
CN-88101455-A Pyrazole derivatives and herbicides containing the same 1988-09-28 CN disclosed
EP-0282944-A2 Pyrazole derivative and herbicide containing it NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1988-09-21 EP disclosed