SCHEMBL31184644

SCHEMBL31184644

COc1cc(NC(=O)C2CCC(N3Cc4c(C)ccc(Br)c4NC3=O)CC2)ccc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ POLB P06746 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HPGD P15428 3/20 0.40
▸ ALOX12 P18054 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CHKA P35790 1/20 0.40
▸ CHKB Q9Y259 1/20 0.40
▸ ACHE P22303 1/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL31184841 0.93 POLB (0.45) MAPTLMNAPOLBALDH1A1SMN1; SMN2
SCHEMBL31184359 0.92 POLB (0.47) MAPTLMNAPOLBALDH1A1SMN1; SMN2
SCHEMBL31184756 0.90 POLB (0.43) MAPTLMNAPOLBALDH1A1SMN1; SMN2
SCHEMBL31184623 0.89 POLB (0.42) MAPTLMNAPOLBALDH1A1SMN1; SMN2
SCHEMBL31184472 0.88 POLB (0.41) MAPTLMNAPOLBALDH1A1SMN1; SMN2
SCHEMBL31184731 0.88 POLB (0.41) MAPTLMNAPOLBALDH1A1SMN1; SMN2
SCHEMBL31184485 0.88 POLB (0.41) MAPTLMNAPOLBALDH1A1SMN1; SMN2
SCHEMBL31184586 0.88 POLB (0.41) MAPTLMNAPOLBALDH1A1SMN1; SMN2
SCHEMBL31184589 0.87 POLB (0.41) MAPTLMNAPOLBALDH1A1SMN1; SMN2
SCHEMBL31185029 0.87 POLB (0.41) MAPTLMNAPOLBALDH1A1SMN1; SMN2

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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