SCHEMBL3805246

SCHEMBL3805246

C=CCSSn1cnc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.42
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CYP11B1 P15538 4/20 0.38
▸ CYP11B2 P19099 4/20 0.38
▸ TNF P01375 1/20 0.38
▸ HTT P42858 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ EGLN3 Q9H6Z9 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
SCHEMBL1939000 0.84 TDP1 (0.44) TDP1MEN1KMT2ACYP11B1CYP11B2
SCHEMBL273486 0.79 TDP1 (0.52) TDP1MEN1KMT2ACYP11B1CYP11B2
SCHEMBL16401979 0.79 TDP1 (0.46) TDP1MEN1KMT2ACYP11B1CYP11B2
SCHEMBL4394556 0.72 ASAH1 (0.49) TDP1HTTSMN1; SMN2LMNA
SCHEMBL4075893 0.72 ASAH1 (0.49) TDP1HTTSMN1; SMN2LMNA
SCHEMBL8013907 0.72 TDP1 (0.52) TDP1MEN1KMT2ACYP11B1CYP11B2
SCHEMBL8413080 0.71 TDP1 (0.48) TDP1CYP11B1CYP11B2TNFHTT
SCHEMBL6445627 0.71 MEN1 (0.42) TDP1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL6381049 0.69 TDP1 (0.48) TDP1MEN1KMT2ACYP11B1CYP11B2
SCHEMBL20683088 0.69 TDP1 (0.48) TDP1MEN1KMT2ACYP11B1CYP11B2

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
EP-2396394-A1 FATTY SORBITAN ESTER BASED FRICTION MODIFIERS Chemtura Corporation (US) 2011-12-21 — — EP disclosed
WO-2010093519-A1 FATTY SORBITAN ESTER BASED FRICTION MODIFIERS CHEMTURA CORPORATION (US) 2010-08-19 — — WO disclosed
EP-1753849-A2 LUBRICATING COMPOSITIONS CONTAINING SULPHONATES AND PHENATES The Lubrizol Corporation (US) 2007-02-21 — — EP disclosed
WO-2005112575-A2 LUBRICATING COMPOSITIONS CONTAINING SULPHONATES AND PHENATES THE LUBRIZOL CORPORATION (US) 2005-12-01 — — WO disclosed
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