SCHEMBL20006513

SCHEMBL20006513

O=S(=O)(c1ccccc1)c1ccc(-c2cccc(N(c3ccccc3)c3ccccc3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.47
▸ HTR6 P50406 2/20 0.47
▸ CA12 O43570 3/20 0.44
▸ CA2 P00918 3/20 0.44
▸ CA9 Q16790 3/20 0.44
▸ CA1 P00915 2/20 0.43
▸ HSD17B1 P14061 3/20 0.42
▸ HSD17B2 P37059 3/20 0.42
▸ LRRK2 Q5S007 1/20 0.42
▸ LOX P28300 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL29335666 0.88 HTR6 (0.56) PKMHTR6CA12CA2CA9
SCHEMBL21291365 0.86 HTR6 (0.52) PKMHTR6CA12CA2CA9
SCHEMBL23079499 0.84 MGLL (0.45) CA2CA1HSD17B1HSD17B2ALDH1A1
SCHEMBL18194407 0.82 HTR6 (0.54) HTR6ALDH1A1TSHRSMN1; SMN2GAA
SCHEMBL21365004 0.82 ALDH1A1 (0.48) CA2CA1HSD17B1HSD17B2ALDH1A1
SCHEMBL23108813 0.82 ALDH1A1 (0.48) CA2CA1HSD17B1HSD17B2ALDH1A1
SCHEMBL23108823 0.82 ALDH1A1 (0.48) CA2CA1HSD17B1HSD17B2ALDH1A1
SCHEMBL22355482 0.82 ALDH1A1 (0.48) CA2CA1HSD17B1HSD17B2ALDH1A1
SCHEMBL18417846 0.82 ALDH1A1 (0.48) CA2CA1HSD17B1HSD17B2ALDH1A1
SCHEMBL24309151 0.82 ALDH1A1 (0.48) CA2CA1HSD17B1HSD17B2ALDH1A1

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-10662108-B2 Recovery of fibers reinforced polymers with lewis bases THE BOEING COMPANY (US) 2020-05-26 — — US disclosed
US-20180086639-A1 Recovery of Fibers from Fiber Reinforced Polymers with Lewis Bases THE BOEING COMPANY 2018-03-29 — — US disclosed
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