SCHEMBL31603795

SCHEMBL31603795

CCOC(=O)c1[nH]ccc1N(Cc1cccc(OC/C(=C/F)CNC(=O)OC(C)(C)C)c1)C(=S)NC(=O)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX12 P18054 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ALDH1A1 P00352 8/20 0.33
▸ SMN1; SMN2 Q16637 4/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MDM2 Q00987 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ TP53 P04637 1/20 0.31
▸ GAA P10253 1/20 0.31

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
SCHEMBL31603763 0.89 MDM2 (0.32) ALOX12HTTCYP1A2CYP3A4CYP2D6
SCHEMBL31603786 0.87 BDKRB2 (0.32) ALDH1A1MAPTMDM2
SCHEMBL27223538 0.77 ALDH1A1 (0.34) ALOX12HTTCYP1A2CYP3A4CYP2D6
SCHEMBL27224036 0.74 ATM (0.35) ALOX12HTTCYP1A2CYP3A4CYP2D6
SCHEMBL27223517 0.73 ALOX12 (0.34) ALOX12HTTCYP1A2CYP3A4CYP2D6
SCHEMBL31603776 0.71 MAPT (0.32) NPSR1L3MBTL1MAPTKMT2AMEN1
SCHEMBL27223633 0.70 P2RY12 (0.36) ALOX12HTTCYP1A2CYP3A4CYP2D6
SCHEMBL30749322 0.70 ALDH1A1 (0.35) ALOX12HTTCYP1A2CYP3A4CYP2D6
SCHEMBL27223550 0.70 ALDH1A1 (0.35) ALOX12HTTCYP1A2CYP3A4CYP2D6
SCHEMBL30749223 0.67 KDM4E (0.42) NPSR1ALDH1A1SMN1; SMN2MAPTKMT2A

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-2025107036-A1 DUAL INHIBITORS OF AMINE OXIDASES AND PEROXIDASES, AND USES THEREOF SYNTARA LIMITED (AU) 2025-05-30 — — WO disclosed
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