SCHEMBL31184529

SCHEMBL31184529

Cc1cccc2c1CN(C1CCC(C(=O)O)CC1)C2=O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.49
▸ HTR2A P28223 1/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ HTR2B P41595 1/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ IDH1 O75874 1/20 0.41
▸ CDK4 P11802 1/20 0.38
▸ CRBN Q96SW2 1/20 0.38
▸ DUSP3 P51452 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ KEAP1 Q14145 3/20 0.36
▸ NFE2L2 Q16236 3/20 0.36
▸ ELANE P08246 1/20 0.36
▸ ACHE P22303 1/20 0.36

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
SCHEMBL31184816 0.88 MAPK1 (0.48) MAPK1HTR2AHTR2CHTR2BMEN1
SCHEMBL31184452 0.88 MAPK1 (0.51) MAPK1HTR2AHTR2CHTR2BMEN1
SCHEMBL31184632 0.86 MAPK1 (0.46) MAPK1HTR2AHTR2CHTR2BMEN1
SCHEMBL31185026 0.81 KMT2A (0.48) MAPK1MEN1KMT2AMAPT
SCHEMBL31184979 0.80 ALDH1A1 (0.46) MAPK1MEN1KMT2AMAPT
SCHEMBL31184907 0.80 JAK2 (0.40) MEN1KMT2AMAPT
SCHEMBL31184422 0.79 MAPK1 (0.40) MAPK1HTR2AHTR2CHTR2BMEN1
SCHEMBL31185049 0.78 ALDH1A1 (0.44) MAPK1KMT2ACRBNMAPT
SCHEMBL31184891 0.78 KMT2A (0.52) MAPK1MEN1KMT2A
SCHEMBL31184657 0.78 ALDH1A1 (0.44) MAPK1KMT2ACRBNMAPT

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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