SCHEMBL7575503

SCHEMBL7575503

CCS(=O)(=O)[O-].COc1ccc([S+](c2ccc(OC)cc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.50

Known targets — ChEMBL curated mechanism

FGFR1FGFR2FGFR3FGFR4FLT1FLT4KDRPDGFRAPDGFRB

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.50
ALDH1A1 P00352 1/20 0.43
MMP13 P45452 4/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
MMP1 P03956 3/20 0.43
MMP8 P22894 2/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
GAA P10253 1/20 0.43
CA9 Q16790 2/20 0.42
CA12 O43570 1/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
NPC1 O15118 1/20 0.42
PKLR P30613 1/20 0.42
RAB9A P51151 1/20 0.42
FFAR4 Q5NUL3 2/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL7584568 0.90 PKM (0.44) PKMALDH1A1MMP13CA1CA2
SCHEMBL7575945 0.88 PKM (0.54) PKMALDH1A1MMP13CA1CA2
SCHEMBL451242 0.84 MMP13 (0.44) PKMALDH1A1MMP13CA1CA2
SCHEMBL5712580 0.82 PTGS2 (0.43) PKMALDH1A1MMP13MMP8MMP9
SCHEMBL8331507 0.81 PKM (0.47) PKMALDH1A1MMP13CA1CA2
Trifluoromethanesulfonic Acid SCHEMBL454992 0.81 PKM (0.47) PKMMMP13CA1CA2MMP1
SCHEMBL30727537 0.81 PKM (0.47) PKMALDH1A1MMP13CA1CA2
SCHEMBL372869 0.81 CA1 (0.65) PKMALDH1A1CA1CA2GAA
SCHEMBL450430 0.80 PKM (0.50) PKMALDH1A1MMP13CA1CA2
SCHEMBL450797 0.80 ACHE (0.52) PKMALDH1A1GAAFFAR4RAPGEF4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020196896-A1 Exposure method, exposure apparatus, X-ray mask, semiconductor device and microstructure MITSUBISHI DENKI KABUSHIKI KAISHA (JP) 2002-12-26 US disclosed
EP-1224292-A2 FORMYLGLYCINAMIDINRIBOTIDE SYNTHASE FROM PLANTS BASF AKTIENGESELLSCHAFT (DE) 2002-07-24 EP disclosed
EP-1193553-A2 Exposure method, exposure apparatus, x-ray mask, semiconductor device and microstructure MITSUBISHI DENKI KABUSHIKI KAISHA (JP) 2002-04-03 EP disclosed
WO-2001031025-A2 FORMYLGLYCINAMIDINRIBOTIDE SYNTHASE FROM PLANTS BASF AKTIENGESELLSCHAFT (DE) 2001-05-03 WO disclosed