SCHEMBL29836556

SCHEMBL29836556

Cc1ccc(S(=O)(=O)n2cc(-c3ccnc(NCc4ccccc4)c3)c3c(Oc4ccc5c(c4)CN(C(=O)OC(C)(C)C)CC5)ccnc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.39
▸ HTR6 P50406 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ GCK P35557 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ P2RX7 Q99572 2/20 0.35
▸ NR1H2 P55055 1/20 0.35
▸ OPRM1 P35372 2/20 0.34
▸ OPRK1 P41145 2/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ KCNA1 Q09470 1/20 0.34
▸ KCNAB1 Q14722 1/20 0.34
▸ TLR9 Q9NR96 1/20 0.34
▸ MMP1 P03956 1/20 0.34
▸ MMP2 P08253 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
SCHEMBL21593076 1.00 ACHE (0.39) ACHEHTR6HDAC8GCKMEN1
SCHEMBL23762163 0.93 ACHE (0.39) ACHEHTR6GCKMEN1KMT2A
SCHEMBL23751139 0.93 LMNA (0.37) KMT2AALDH1A1LMNAHPGDHTT
SCHEMBL21593100 0.92 ACHE (0.38) ACHEHTR6HDAC8GCKMEN1
SCHEMBL29836487 0.92 ACHE (0.38) ACHEHTR6HDAC8GCKMEN1
SCHEMBL23762108 0.92 ACHE (0.42) ACHEHTR6HDAC8GCKMEN1
SCHEMBL23762168 0.92 ACHE (0.39) ACHEHTR6HDAC8GCKMEN1
SCHEMBL21593132 0.92 ACHE (0.40) ACHEHTR6HDAC8GCKMEN1
SCHEMBL21593117 0.91 NR1H2 (0.34) HTR6MEN1KMT2ANR1H2NAMPT
SCHEMBL21593184 0.91 KCNA1 (0.35) ACHEHTR6HDAC8GCKMEN1

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
EP-3807273-B1 AZAINDOLE DERIVATIVES AS RHO-KINASE INHIBITORS CHIESI FARM SPA (IT) 2022-08-03 — — EP disclosed
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