SCHEMBL31184995

SCHEMBL31184995

CCc1cccc2c1CN(C1CCC(C(=O)Nc3ccc(C)c(OC)c3)CC1)C(=O)N2

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 3/20 0.41
▸ POLB P06746 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TP53 P04637 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ TRPV1 Q8NER1 1/20 0.40
▸ ACHE P22303 1/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 2/20 0.39
▸ CHKA P35790 1/20 0.38
▸ CHKB Q9Y259 1/20 0.38
▸ GNRHR P30968 1/20 0.38

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
SCHEMBL31184884 0.93 POLB (0.43) MALT1POLBALDH1A1CYP1A2CYP3A4
SCHEMBL31184406 0.91 POLB (0.43) MALT1POLBALDH1A1CYP1A2CYP3A4
SCHEMBL31184899 0.91 MALT1 (0.45) MALT1POLBALDH1A1CYP1A2CYP3A4
SCHEMBL31185043 0.90 POLB (0.41) MALT1POLBALDH1A1CYP1A2CYP3A4
SCHEMBL31184551 0.89 TP53 (0.41) MALT1POLBALDH1A1CYP1A2CYP3A4
SCHEMBL31184597 0.89 POLB (0.41) MALT1POLBALDH1A1CYP1A2CYP3A4
SCHEMBL31184531 0.87 POLB (0.40) MALT1POLBALDH1A1CYP1A2CYP3A4
SCHEMBL31184622 0.87 MALT1 (0.43) MALT1POLBALDH1A1CYP1A2CYP3A4
SCHEMBL31184817 0.86 MAPT (0.43) MALT1POLBALDH1A1CYP1A2CYP3A4
SCHEMBL31184397 0.86 POLB (0.45) MALT1POLBALDH1A1CYP1A2CYP3A4

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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