SCHEMBL31185073

SCHEMBL31185073

CCCCOC(=O)NCc1cccc2c1CN(C1CCC(C(=O)Nc3ccc(C)c(OC)c3)CC1)C2=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.39
▸ NQO2 P16083 1/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ CYP2C19 P33261 3/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ TP53 P04637 2/20 0.36
▸ TYK2 P29597 1/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MALT1 Q9UDY8 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ ACHE P22303 1/20 0.34

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
SCHEMBL31184462 0.88 CYP3A4 (0.40) MAPTNQO2MAPK1CYP2C19CYP3A4
SCHEMBL31184983 0.87 SMN1; SMN2 (0.40) MAPTMAPK1USP2CYP2C19CYP3A4
SCHEMBL31184817 0.87 MAPT (0.43) MAPTMAPK1CYP2C19CYP3A4CYP1A2
SCHEMBL31184804 0.84 POLB (0.41) MAPTMAPK1CYP2C19CYP3A4CYP1A2
SCHEMBL31184449 0.84 MAPT (0.42) MAPTMAPK1CYP2C19CYP3A4CYP1A2
SCHEMBL31184968 0.83 POLB (0.36) MAPTMAPK1CYP2C19CYP3A4CYP1A2
SCHEMBL31184573 0.82 MALT1 (0.46) MAPK1CYP2C19CYP3A4CYP1A2SMN1; SMN2
SCHEMBL31184972 0.82 POLB (0.44) MAPTMAPK1CYP2C19CYP3A4CYP1A2
SCHEMBL31184973 0.82 POLB (0.44) MAPTMAPK1CYP2C19CYP3A4CYP1A2
SCHEMBL31184518 0.81 TP53 (0.49) MAPTSMN1; SMN2ALDH1A1TP53TYK2

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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