SCHEMBL21185462

SCHEMBL21185462

CCCCN1C(=O)C(=C2SC3=C(S2)C(=O)C=CC3=O)C(=O)N1CCCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ MGLL Q99685 4/20 0.33
▸ PTGS1 P23219 3/20 0.33
▸ PTGS2 P35354 3/20 0.33
▸ FAAH O00519 2/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ GAA P10253 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ MITF O75030 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ RGS4 P49798 3/20 0.32
▸ RGS8 P57771 2/20 0.32
▸ AMY1A P0DUB6 1/20 0.32

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
SCHEMBL21185415 0.94 MGLL (0.42) ALDH1A1MAPTMGLLPTGS1PTGS2
SCHEMBL21185503 0.90 MEN1 (0.32) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL21185467 0.84 ALDH1A1 (0.32) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL21185494 0.80 — —
SCHEMBL21185502 0.79 — —
SCHEMBL21185500 0.79 ALDH1A1 (0.35) ALDH1A1MAPTRGS4RGS8
SCHEMBL24519641 0.77 RGS4 (0.32) ALDH1A1MAPTMGLLPTGS1PTGS2
SCHEMBL21185464 0.76 TYR (0.35) ALDH1A1MAPTMGLLPTGS1PTGS2
SCHEMBL21185509 0.73 ALDH1A1 (0.33) ALDH1A1KMT2A
SCHEMBL21185507 0.73 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019142538-A1 COMPOSITION, CURABLE COMPOSITION, AND COMPOUND 富士フイルム株式会社 2019-07-25 — — WO disclosed
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