SCHEMBL30858752

SCHEMBL30858752

COc1ccc2c(c1)Sc1cc(Br)ccc1N2C(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 7/20 0.54
▸ SNCA P37840 5/20 0.47
▸ ACHE P22303 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ BACE1 P56817 1/20 0.40
▸ TP53 P04637 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ FLT3 P36888 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ BRCA1 P38398 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CASP7 P55210 1/20 0.38

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
SCHEMBL30858755 1.00 BCHE (0.54) BCHESNCAACHEHPGDBACE1
SCHEMBL31022783 0.91 BCHE (0.64) BCHEBACE1MAPTMEN1ALOX12
SCHEMBL12813131 0.91 BCHE (0.64) BCHEBACE1MAPTMEN1ALOX12
SCHEMBL29406451 0.85 SNCA (0.60) BCHESNCAACHEHPGDTP53
SCHEMBL19918106 0.85 SNCA (0.60) BCHESNCAACHEHPGDTP53
SCHEMBL31425263 0.81 BCHE (0.53) BCHESNCAACHEHPGDTP53
SCHEMBL19918109 0.81 SNCA (0.73) BCHESNCAKDM4EMAPK1MAPT
SCHEMBL29406423 0.81 SNCA (0.73) BCHESNCAKDM4EMAPK1MAPT
SCHEMBL19942820 0.81 BCHE (0.49) BCHESNCAACHEHPGDTP53
SCHEMBL19939646 0.79 BCHE (0.47) BCHESNCAHPGDTP53KDM4E

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-2024050513-A1 PHENOTHIAZINES FOR TREATING MITOCHONDRIAL DISEASE ACUREX BIOSCIENCES CORPORATION (US) 2024-03-07 — — WO disclosed
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