SCHEMBL21185503

SCHEMBL21185503

CCCN1C(=O)C(=C2SC3=C(S2)C(=O)C=CC3=O)C(=O)N1CCC

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ MMP14 P50281 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ CISD1 Q9NZ45 2/20 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
SCHEMBL21185462 0.90 ALDH1A1 (0.36) MEN1MAPTKMT2ATDP1L3MBTL1
SCHEMBL21185415 0.87 MGLL (0.42) MEN1MAPTKMT2AMAPK1L3MBTL1
SCHEMBL21185494 0.83 — —
SCHEMBL21185502 0.82 — —
SCHEMBL21185500 0.81 ALDH1A1 (0.35) MAPTLMNAALDH1A1
SCHEMBL21185507 0.79 — —
SCHEMBL21185509 0.76 ALDH1A1 (0.33) KMT2AALDH1A1
SCHEMBL21185498 0.76 GSK3B (0.44) MEN1MAPTKMT2ATDP1L3MBTL1
SCHEMBL21185510 0.75 CISD1 (0.33) CISD1
SCHEMBL21185504 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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