SCHEMBL31184740

SCHEMBL31184740

COc1cc(NC(=O)C2CCC(N3Cc4c(C)cccc4C3=O)CC2)ccc1C#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ HTT P42858 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ MAPT P10636 4/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ TYK2 P29597 1/20 0.41
▸ CHKA P35790 1/20 0.40
▸ CHKB Q9Y259 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ BACE1 P56817 1/20 0.40
▸ IMPDH1 P20839 2/20 0.40
▸ MALT1 Q9UDY8 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ TSHR P16473 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
SCHEMBL31184818 0.96 ALDH1A1 (0.46) IMPDH2SMN1; SMN2HTTALDH1A1MAPT
SCHEMBL31184475 0.90 POLB (0.49) ALDH1A1MAPTKMT2AMEN1HPGD
SCHEMBL31184972 0.90 POLB (0.44) SMN1; SMN2ALDH1A1MAPTKMT2AHPGD
SCHEMBL31184655 0.89 SMN1; SMN2 (0.46) SMN1; SMN2HTTALDH1A1MAPTKMT2A
SCHEMBL31184761 0.89 MAPT (0.43) SMN1; SMN2HTTALDH1A1MAPTKMT2A
SCHEMBL31184640 0.88 POLB (0.45) SMN1; SMN2HTTALDH1A1MAPTKMT2A
SCHEMBL31184419 0.88 POLB (0.42) SMN1; SMN2ALDH1A1MAPTKMT2AHPGD
SCHEMBL31184499 0.88 MALT1 (0.46) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
SCHEMBL31184741 0.87 MAPT (0.43) SMN1; SMN2ALDH1A1MAPTKMT2AHPGD
SCHEMBL31184745 0.87 GRM1 (0.44) SMN1; SMN2HTTALDH1A1MAPTKMT2A

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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