SCHEMBL31185126

SCHEMBL31185126

COc1cc(NC(=O)C2CCC(N3Cc4c(ccnc4Br)C3=O)CC2)ccc1C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 10/20 0.43
▸ CHKA P35790 1/20 0.42
▸ CHKB Q9Y259 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ MAPK1 P28482 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ GRM4 Q14833 1/20 0.40
▸ 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
SCHEMBL31185063 0.86 MALT1 (0.43) MALT1CHKACHKBPOLBMAPK1
SCHEMBL31184345 0.86 POLB (0.42) MALT1CHKACHKBPOLBMAPK1
SCHEMBL31184581 0.85 POLB (0.42) CHKACHKBPOLBMAPK1ALDH1A1
SCHEMBL31184647 0.85 POLB (0.43) CHKACHKBPOLBMAPK1ALDH1A1
SCHEMBL31184972 0.85 POLB (0.44) MALT1CHKACHKBPOLBMAPK1
SCHEMBL31184973 0.85 POLB (0.44) MALT1CHKACHKBPOLBMAPK1
SCHEMBL31184933 0.84 POLB (0.41) MALT1CHKACHKBPOLBMAPK1
SCHEMBL31184573 0.83 MALT1 (0.46) MALT1CHKACHKBPOLBMAPK1
SCHEMBL31184861 0.83 POLB (0.43) MALT1CHKACHKBPOLBMAPK1
SCHEMBL31184820 0.82 MAPK1 (0.49) MALT1CHKACHKBPOLBMAPK1

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