SCHEMBL31184891

SCHEMBL31184891

Cc1ccc(NC(=O)C2CCC(N3Cc4c(C)cccc4C3=O)CC2)c(O)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.52
▸ GAA P10253 2/20 0.52
▸ MEN1 O00255 3/20 0.46
▸ EPHX2 P34913 4/20 0.45
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ MAPK1 P28482 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ PABPC1 P11940 1/20 0.39
▸ APOBEC3A P31941 1/20 0.39
▸ EIF4H Q15056 1/20 0.39
▸ APOBEC3G Q9HC16 1/20 0.39
▸ MAP3K5 Q99683 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
SCHEMBL31184657 0.84 ALDH1A1 (0.44) KMT2AGAAKDM4EALDH1A1MAPK1
SCHEMBL31185049 0.84 ALDH1A1 (0.44) KMT2AGAAKDM4EALDH1A1MAPK1
SCHEMBL31185026 0.82 KMT2A (0.48) KMT2AGAAMEN1EPHX2KDM4E
SCHEMBL31184979 0.82 ALDH1A1 (0.46) KMT2AGAAMEN1KDM4EALDH1A1
SCHEMBL31184809 0.81 MAPK1 (0.42) KMT2AMEN1KDM4EALDH1A1MAPK1
SCHEMBL31184763 0.79 EPHX2 (0.49) KMT2AMEN1EPHX2ALDH1A1NPC1
SCHEMBL31184399 0.79 ALDH1A1 (0.43) KMT2AMEN1KDM4EALDH1A1NPC1
SCHEMBL31184422 0.79 MAPK1 (0.40) KMT2AGAAMEN1KDM4EALDH1A1
SCHEMBL31184529 0.78 MAPK1 (0.49) KMT2AMEN1MAPK1
SCHEMBL31184632 0.77 MAPK1 (0.46) KMT2AGAAMEN1ALDH1A1MAPK1

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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