SCHEMBL7951331

SCHEMBL7951331

COc1ccc(-c2c(S(C)(=O)=O)ccc(I)c2C)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.36
▸ HSP90AB1 P08238 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PRKAB2 O43741 1/20 0.36
▸ PRKAG1 P54619 1/20 0.36
▸ PRKAA2 P54646 1/20 0.36
▸ PRKAA1 Q13131 1/20 0.36
▸ PRKAG3 Q9UGI9 1/20 0.36
▸ PRKAG2 Q9UGJ0 1/20 0.36
▸ PRKAB1 Q9Y478 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ TEK Q02763 1/20 0.36
▸ FLT1 P17948 1/20 0.36
▸ FLT4 P35916 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ CRHR1 P34998 3/20 0.35
▸ TP53 P04637 1/20 0.35
▸ FFAR4 Q5NUL3 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
SCHEMBL7939676 0.86 PTGS2 (0.39) KMT2APKMSMN1; SMN2PRKAB2PRKAG1
SCHEMBL7949415 0.83 CCR2 (0.41) CRHR1PTGS2
SCHEMBL7947386 0.77 HSD11B1 (0.48) KMT2AHSP90AA1HSP90AB1L3MBTL1PTGS2
SCHEMBL7951417 0.74 KDM4E (0.39) KMT2AHSP90AA1HSP90AB1SMN1; SMN2L3MBTL1
SCHEMBL25316752 0.73 L3MBTL1 (0.42) PKMSMN1; SMN2L3MBTL1PTGS2
SCHEMBL5376788 0.70 ALDH1A1 (0.47) KMT2APKMSMN1; SMN2L3MBTL1TP53
SCHEMBL7946316 0.70 LOX (0.36) KMT2APKMSMN1; SMN2L3MBTL1PTGS2
SCHEMBL3540653 0.69 CA12 (0.43) KMT2AHSP90AA1HSP90AB1ALDH1A1
SCHEMBL12325069 0.69 HSP90AA1 (0.56) KMT2AHSP90AA1HSP90AB1CRHR1ALDH1A1
SCHEMBL12036349 0.68 SMN1; SMN2 (0.57) PKMSMN1; SMN2L3MBTL1FFAR4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6265606-B1 TO CONTROL A BROAD SPECTRUM OF UNDESIRABLE VEGETATION, ARE SELECTIVE TO MAJOR CROPS, HAVE DESIRABLE ENVIRONMENTAL PROFILES, DOW AGROSCIENCES LLC 2001-07-24 — — US disclosed
US-6010981-A 1-alkyl-4-benzoyl-5-hydroxypyrazole compounds and their use as herbicides DOW AGROSCIENCES LLC (US) 2000-01-04 — — US disclosed
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