SCHEMBL31184635

SCHEMBL31184635

COc1cc(NC(=O)[C@@H]2CC[C@@H](N)C2)ccc1C

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
ULK1 O75385 6/20 0.48
MAPT P10636 2/20 0.46
GRM4 Q14833 2/20 0.45
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPK1 P28482 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
HPGD P15428 1/20 0.45
ACHE P22303 1/20 0.45
BACE1 P56817 1/20 0.45
GAA P10253 2/20 0.43
LMNA P02545 1/20 0.43
SMYD3 Q9H7B4 1/20 0.43

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
SCHEMBL31184396 1.00 POLB (0.53) POLBULK1MAPTGRM4ALDH1A1
Hydrochloric Acid SCHEMBL31185115 0.99 POLB (0.52) POLBULK1MAPTGRM4ALDH1A1
SCHEMBL31184530 0.92 POLB (0.58) POLBULK1MAPTGRM4ALDH1A1
Hydrochloric Acid SCHEMBL30870520 0.91 POLB (0.57) POLBULK1MAPTGRM4ALDH1A1
Hydrochloric Acid SCHEMBL28516334 0.91 POLB (0.57) POLBULK1MAPTGRM4ALDH1A1
SCHEMBL31184805 0.84 POLB (0.48) POLBMAPTGRM4ALDH1A1SMN1; SMN2
SCHEMBL31184837 0.82 POLB (0.58) POLBMAPTGRM4ALDH1A1SMN1; SMN2
SCHEMBL30870166 0.82 POLB (0.64) POLBGRM4ALDH1A1SMN1; SMN2HPGD
SCHEMBL28500867 0.82 POLB (0.64) POLBGRM4ALDH1A1SMN1; SMN2HPGD
SCHEMBL31184928 0.81 POLB (0.57) POLBGRM4ALDH1A1SMN1; SMN2MAPK1

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