SCHEMBL9448604

SCHEMBL9448604

COCc1c(S(C)(=O)=O)ccc(I)c1C

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.34
ALDH1A1 P00352 1/20 0.33
IGF1R P08069 1/20 0.33
SRC P12931 1/20 0.33
AXL P30530 1/20 0.33
PTK2 Q05397 1/20 0.33
AURKB Q96GD4 1/20 0.33
ALK Q9UM73 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
EPAS1 Q99814 1/20 0.31
CMA1 P23946 1/20 0.31
HPGD P15428 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL5470517 0.76 LMNA (0.34) PTGS2ALDH1A1IGF1RSRCAXL
Hydrochloric Acid SCHEMBL5473450 0.75 LMNA (0.33) PTGS2ALDH1A1IGF1RSRCAXL
SCHEMBL5473449 0.75 IGF1R (0.33) PTGS2ALDH1A1IGF1RSRCAXL
SCHEMBL15055376 0.70 PTGS2 (0.31) PTGS2SMN1; SMN2
SCHEMBL9078218 0.69
SCHEMBL9448464 0.69 VCAM1 (0.41) ALDH1A1SMN1; SMN2
SCHEMBL9448447 0.69 EPAS1 (0.38) PTGS2ALDH1A1SMN1; SMN2EPAS1HPGD
SCHEMBL9657374 0.68 HPD (0.36) PTGS2ALDH1A1
SCHEMBL4780550 0.68 ALDH1A1 (0.43) ALDH1A1IGF1RSRCAXLPTK2
SCHEMBL22090249 0.66 EPAS1 (0.36) ALDH1A1EPAS1HPGD

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
US-RE34423-E For producing 4-benzoyl-5-hydroxypyrazoles NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1993-10-26 US disclosed
US-RE34408-E Reacting carbon monoxide with a 5-hydroxy pyrazole and a substituted benzene NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1993-10-12 US disclosed
EP-0344775-B1 PROCESS FOR PRODUCING 4-BENZOYL-5-HYDROXYPYRAZOLES NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1993-08-04 EP disclosed
US-5087724-A For herbicides NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1992-02-11 US disclosed
US-4942246-A CARBONYLATION, CONDENSATION, HERBICIDES NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1990-07-17 US disclosed
EP-0344775-A1 Process for producing 4-benzoyl-5-hydroxypyrazoles NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1989-12-06 EP disclosed