SCHEMBL29836487

SCHEMBL29836487

Cc1ccc(S(=O)(=O)n2cc(-c3cc(NCc4ccccc4)ncn3)c3c(Oc4ccc5c(c4)CN(C(=O)OC(C)(C)C)CC5)ccnc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ GCK P35557 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ P2RX7 Q99572 2/20 0.34
▸ NR1H2 P55055 1/20 0.34
▸ TP53 P04637 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ HIF1A Q16665 2/20 0.33
▸ CLK4 Q9HAZ1 2/20 0.33

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
SCHEMBL21593100 1.00 ACHE (0.38) ACHEALDH1A1LMNAHPGDHTT
SCHEMBL21593181 0.94 HTR6 (0.35) ACHEALDH1A1LMNAHPGDHTT
SCHEMBL23751199 0.93 ALDH1A1 (0.38) ALDH1A1LMNAHPGDHTTKMT2A
SCHEMBL21593132 0.92 ACHE (0.40) ACHEALDH1A1LMNAHPGDHTT
SCHEMBL21593076 0.92 ACHE (0.39) ACHEALDH1A1LMNAHPGDHTT
SCHEMBL29836556 0.92 ACHE (0.39) ACHEALDH1A1LMNAHPGDHTT
SCHEMBL21593186 0.91 HTR6 (0.36) ALDH1A1LMNAHPGDHTTHTR6
SCHEMBL21593133 0.91 GCK (0.35) ACHEALDH1A1LMNAHPGDHTT
SCHEMBL21593131 0.91 ACHE (0.38) ACHEALDH1A1LMNAHPGDHTT
SCHEMBL23762108 0.91 ACHE (0.42) ACHEALDH1A1LMNAHPGDHTT

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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