SCHEMBL31185035

SCHEMBL31185035

COc1cc(NC(=O)C2CCC(N3Cc4c(ccnc4C)NC3=O)CC2)ccc1C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 7/20 0.43
▸ MAPK1 P28482 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ CHKA P35790 1/20 0.42
▸ CHKB Q9Y259 1/20 0.42
▸ POLB P06746 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ HPGD P15428 1/20 0.40
▸ GRM4 Q14833 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ TP53 P04637 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
SCHEMBL31184878 0.87 MALT1 (0.45) MALT1MAPK1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL31184884 0.87 POLB (0.43) MALT1MAPK1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL31184397 0.87 POLB (0.45) MALT1MAPK1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL31184406 0.87 POLB (0.43) MALT1MAPK1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL31184899 0.86 MALT1 (0.45) MALT1MAPK1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL31184653 0.85 POLB (0.42) MALT1MAPK1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL31184881 0.85 POLB (0.42) MALT1MAPK1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL31184597 0.84 POLB (0.41) MALT1MAPK1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL31184551 0.84 TP53 (0.41) MALT1MAPK1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL31184594 0.84 POLB (0.42) MAPK1SMN1; SMN2ALDH1A1CYP1A2CYP3A4

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
Send feedback