SCHEMBL31184579

SCHEMBL31184579

COc1ccc(NC(=O)C2(C)CCC(N3Cc4c(C)cccc4NC3=O)CC2)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.42
▸ MAPT P10636 4/20 0.42
▸ RECQL P46063 1/20 0.42
▸ MALT1 Q9UDY8 7/20 0.42
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ LMNA P02545 3/20 0.40
▸ TP53 P04637 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38

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
SCHEMBL31185021 0.92 MAPT (0.36) ALDH1A1MAPTRECQLMALT1KMT2A
SCHEMBL31184643 0.91 PARP1 (0.37) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL31184638 0.91 PARP1 (0.37) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL31184982 0.89 ALDH1A1 (0.42) ALDH1A1MAPTTP53POLB
SCHEMBL31184793 0.88 ALDH1A1 (0.42) ALDH1A1MAPTRECQLMALT1KMT2A
SCHEMBL31185080 0.86 MALT1 (0.53) ALDH1A1MALT1HPGDSMN1; SMN2
SCHEMBL31184672 0.80 MAPT (0.36) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL31184478 0.80 MAPT (0.38) ALDH1A1MAPTRECQLKMT2AMEN1
SCHEMBL31185102 0.78 POLB (0.44) ALDH1A1MAPTMALT1HPGDLMNA
SCHEMBL31184736 0.78 CDK5 (0.36) —

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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