SCHEMBL31184530

SCHEMBL31184530

COc1cc(NC(=O)C2CCC(N)CC2)ccc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
ULK1 O75385 1/20 0.50
SMYD3 Q9H7B4 1/20 0.50
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP2C19 P33261 1/20 0.49
HPGD P15428 1/20 0.49
ACHE P22303 1/20 0.49
BACE1 P56817 1/20 0.49
GRM4 Q14833 2/20 0.47
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
NAMPT P43490 1/20 0.47
MALT1 Q9UDY8 1/20 0.46
MAPT P10636 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
Hydrochloric Acid SCHEMBL30870520 0.99 POLB (0.57) POLBULK1SMYD3ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL28516334 0.99 POLB (0.57) POLBULK1SMYD3ALDH1A1SMN1; SMN2
SCHEMBL31184396 0.92 POLB (0.53) POLBULK1SMYD3ALDH1A1SMN1; SMN2
SCHEMBL31184635 0.92 POLB (0.53) POLBULK1SMYD3ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL31185115 0.91 POLB (0.52) POLBULK1SMYD3ALDH1A1SMN1; SMN2
SCHEMBL31184837 0.87 POLB (0.58) POLBALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL30870166 0.86 POLB (0.64) POLBALDH1A1SMN1; SMN2HPGDGRM4
SCHEMBL28500867 0.86 POLB (0.64) POLBALDH1A1SMN1; SMN2HPGDGRM4
SCHEMBL31184928 0.86 POLB (0.57) POLBALDH1A1SMN1; SMN2CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL31184807 0.85 POLB (0.63) POLBALDH1A1SMN1; SMN2HPGDGRM4

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