SCHEMBL31184831

SCHEMBL31184831

COc1cc(NC(=O)C2CCC(N3Cc4c(C)ccc(C#N)c4C3=O)CC2)ccc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.45
▸ MAPT P10636 3/20 0.45
▸ HPGD P15428 3/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HTT P42858 2/20 0.43
▸ POLB P06746 2/20 0.42
▸ ABL1 P00519 1/20 0.42
▸ CHKA P35790 1/20 0.41
▸ CHKB Q9Y259 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ ACHE P22303 1/20 0.41
▸ BACE1 P56817 1/20 0.41

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
SCHEMBL31184693 0.87 MALT1 (0.45) ALDH1A1MAPTSMN1; SMN2CYP1A2CYP3A4
SCHEMBL31184586 0.86 POLB (0.41) ALDH1A1MAPTHPGDKDM4EMEN1
SCHEMBL31184740 0.84 IMPDH2 (0.47) ALDH1A1MAPTHPGDKDM4EMEN1
SCHEMBL31184818 0.83 ALDH1A1 (0.46) ALDH1A1MAPTHPGDKDM4EMEN1
SCHEMBL31184656 0.83 POLB (0.40) ALDH1A1MAPTHPGDKDM4EMEN1
SCHEMBL31184972 0.83 POLB (0.44) ALDH1A1MAPTHPGDKMT2ASMN1; SMN2
SCHEMBL31184508 0.82 ALDH1A1 (0.45) ALDH1A1MAPTHPGDKDM4EMEN1
SCHEMBL31184841 0.81 POLB (0.45) ALDH1A1MAPTHPGDKDM4EHSD17B10
SCHEMBL31184973 0.81 POLB (0.44) ALDH1A1MAPTHPGDKMT2ASMN1; SMN2
SCHEMBL31184510 0.81 SMN1; SMN2 (0.46) ALDH1A1MAPTHPGDMEN1KMT2A

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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