SCHEMBL31184818

SCHEMBL31184818

COc1ccc(NC(=O)C2CCC(N3Cc4c(C)cccc4C3=O)CC2)cc1C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ HTT P42858 1/20 0.42
▸ MAPT P10636 3/20 0.42
▸ HPGD P15428 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ POLB P06746 2/20 0.42
▸ MALT1 Q9UDY8 3/20 0.42
▸ TYK2 P29597 1/20 0.41
▸ IMPDH2 P12268 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ CHKA P35790 1/20 0.41
▸ CHKB Q9Y259 1/20 0.41
▸ ACHE P22303 1/20 0.40

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
SCHEMBL31184740 0.96 IMPDH2 (0.47) ALDH1A1SMN1; SMN2HTTMAPTHPGD
SCHEMBL31184640 0.91 POLB (0.45) ALDH1A1SMN1; SMN2HTTMAPTHPGD
SCHEMBL31184475 0.91 POLB (0.49) ALDH1A1MAPTHPGDKMT2AMEN1
SCHEMBL31184655 0.90 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2HTTMAPTHPGD
SCHEMBL31184972 0.89 POLB (0.44) ALDH1A1SMN1; SMN2MAPTHPGDKMT2A
SCHEMBL31184468 0.89 TP53 (0.44) ALDH1A1SMN1; SMN2MAPTHPGDKMT2A
SCHEMBL31184902 0.89 MALT1 (0.54) ALDH1A1SMN1; SMN2HPGDMALT1TSHR
SCHEMBL31184761 0.88 MAPT (0.43) ALDH1A1SMN1; SMN2HTTMAPTHPGD
SCHEMBL31184745 0.88 GRM1 (0.44) ALDH1A1SMN1; SMN2HTTMAPTHPGD
SCHEMBL31184499 0.87 MALT1 (0.46) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1

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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