SCHEMBL27362361

SCHEMBL27362361

CCCNC(=O)CN(CCC)C(=O)c1cc(-c2cc(C(=O)NCCCCO)cc(S(=O)(=O)Nc3ccc(Br)cc3)c2)cc(S(=O)(=O)Nc2ccc(Br)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.39
▸ LIMK1 P53667 3/20 0.37
▸ PKM P14618 1/20 0.36
▸ NTRK2 Q16620 1/20 0.36
▸ ALPL P05186 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ NHERF1 O14745 1/20 0.35
▸ LIMK2 P53671 2/20 0.35
▸ POLB P06746 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ MMP9 P14780 1/20 0.34

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
SCHEMBL30927008 0.80 MEN1 (0.52) L3MBTL1LIMK1PKMMEN1ADORA3
SCHEMBL27180747 0.80 MEN1 (0.52) L3MBTL1LIMK1PKMMEN1ADORA3
SCHEMBL30926924 0.72 L3MBTL1 (0.67) L3MBTL1PKMMEN1ADORA3SLC6A3
SCHEMBL27180733 0.72 L3MBTL1 (0.67) L3MBTL1PKMMEN1ADORA3SLC6A3
SCHEMBL30926954 0.63 MEN1 (0.64) L3MBTL1LIMK1PKMMEN1ADORA3
SCHEMBL27179907 0.63 MEN1 (0.64) L3MBTL1LIMK1PKMMEN1ADORA3
SCHEMBL7739301 0.62 HDAC1 (0.62) KMT2ANHERF1
SCHEMBL4912134 0.62 POLB (0.66) MEN1KMT2AALDH1A1POLBRAB9A
SCHEMBL30926677 0.62 KMT2A (0.73) L3MBTL1PKMMEN1ADORA3SLC6A3
SCHEMBL27180940 0.62 KMT2A (0.73) L3MBTL1PKMMEN1ADORA3SLC6A3

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-2024050041-A2 SULFONAMIDE APYRASE INHIBITORS TEXAS CROP SCIENCE (US) 2024-03-07 — — WO disclosed
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