SCHEMBL31184819

SCHEMBL31184819

Cc1cccc2c1CN(C1CCC(C(=O)Nc3nc(C)c(C)s3)CC1)C2=O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.49
▸ RAB9A P51151 4/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ LCK P06239 2/20 0.46
▸ AHR P35869 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ ABL1 P00519 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ HPGD P15428 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
SCHEMBL31184797 0.84 SMN1; SMN2 (0.52) NPC1RAB9ASMN1; SMN2LCKALDH1A1
SCHEMBL31184798 0.82 LCK (0.39) LCKAHRALDH1A1MEN1KMT2A
SCHEMBL31184630 0.80 HPGD (0.44) NPC1RAB9ASMN1; SMN2ABL1HPGD
SCHEMBL31185026 0.80 KMT2A (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL31184979 0.79 ALDH1A1 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL31184422 0.78 MAPK1 (0.40) ALDH1A1MEN1KMT2AHPGD
SCHEMBL31184529 0.77 MAPK1 (0.49) MEN1KMT2A
SCHEMBL31184632 0.77 MAPK1 (0.46) RAB9AALDH1A1MEN1KMT2A
SCHEMBL31184816 0.76 MAPK1 (0.48) MEN1KMT2A
SCHEMBL31184452 0.76 MAPK1 (0.51) ALDH1A1MEN1KMT2A

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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