SCHEMBL21185467

SCHEMBL21185467

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

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.32
▸ MAPT P10636 3/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ MEN1 O00255 1/20 0.30
▸ MITF O75030 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ RECQL P46063 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ AMY1A P0DUB6 1/20 0.30

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
SCHEMBL21185462 0.84 ALDH1A1 (0.36) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL21185415 0.79 MGLL (0.42) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL21185473 0.78 — —
SCHEMBL21185503 0.75 MEN1 (0.32) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL21185477 0.70 — —
SCHEMBL24519641 0.69 RGS4 (0.32) ALDH1A1MAPT
SCHEMBL21185464 0.69 TYR (0.35) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL21185502 0.65 — —
SCHEMBL21185494 0.65 — —
SCHEMBL21185500 0.65 ALDH1A1 (0.35) ALDH1A1MAPT

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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