SCHEMBL31184716

SCHEMBL31184716

COc1cc(NC(=O)CC2CC(N)C2)ccc1C

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.47
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ AAK1 Q2M2I8 1/20 0.46
▸ GRM4 Q14833 1/20 0.45
▸ EPHX2 P34913 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MALT1 Q9UDY8 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ MAPK14 Q16539 1/20 0.42
▸ HPGD P15428 1/20 0.41

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
SCHEMBL31185055 0.80 ALDH1A1 (0.46) NPSR1MEN1KMT2ARAB9AAAK1
SCHEMBL6639904 0.75 SMN1; SMN2 (0.46) NPSR1MEN1KMT2AAAK1EPHX2
SCHEMBL6639898 0.75 SMN1; SMN2 (0.46) NPSR1MEN1KMT2AAAK1EPHX2
SCHEMBL31184635 0.75 POLB (0.53) GRM4LMNAALDH1A1CYP3A4CYP1A2
SCHEMBL6639136 0.75 SMN1; SMN2 (0.46) NPSR1MEN1KMT2AAAK1EPHX2
SCHEMBL6639133 0.75 SMN1; SMN2 (0.46) NPSR1MEN1KMT2AAAK1EPHX2
SCHEMBL31184396 0.75 POLB (0.53) GRM4LMNAALDH1A1CYP3A4CYP1A2
SCHEMBL6639139 0.75 SMN1; SMN2 (0.46) NPSR1MEN1KMT2AAAK1EPHX2
SCHEMBL31184530 0.74 POLB (0.58) MEN1KMT2AGRM4ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL31185115 0.74 POLB (0.52) GRM4LMNAALDH1A1CYP3A4CYP1A2

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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