SCHEMBL31184789

SCHEMBL31184789

COc1ccc(NC(=O)C2CCC(N3Cc4c(C)cccc4NC3=O)CC2)cc1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MALT1 Q9UDY8 4/20 0.40
▸ POLB P06746 2/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ IMPDH2 P12268 1/20 0.39
▸ CHKA P35790 1/20 0.39
▸ CHKB Q9Y259 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ ACHE P22303 1/20 0.39

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
SCHEMBL31185102 0.91 POLB (0.44) ALDH1A1SMN1; SMN2HPGDHTTMAPT
SCHEMBL31184406 0.89 POLB (0.43) ALDH1A1SMN1; SMN2HPGDMAPTMALT1
SCHEMBL31185080 0.88 MALT1 (0.53) ALDH1A1SMN1; SMN2HPGDMALT1TSHR
SCHEMBL31184508 0.88 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2HPGDHTTMAPT
SCHEMBL31184724 0.88 TP53 (0.43) ALDH1A1SMN1; SMN2HPGDHTTKMT2A
SCHEMBL31184830 0.87 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2HPGDHTTMAPT
SCHEMBL31184818 0.87 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2HPGDHTTMAPT
SCHEMBL31184982 0.87 ALDH1A1 (0.42) ALDH1A1MAPTPOLBIMPDH2CYP1A2
SCHEMBL31185043 0.86 POLB (0.41) ALDH1A1SMN1; SMN2HPGDMAPTKMT2A
SCHEMBL31184656 0.85 POLB (0.40) ALDH1A1SMN1; SMN2HPGDHTTMAPT

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-2024220626-A1 SMALL MOLECULE MODULATORS OF OGG1 AZKARRA THERAPEUTICS, INC. (US) 2024-10-24 — — WO disclosed
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