SCHEMBL31184724

SCHEMBL31184724

COc1ccc(NC(=O)C2CCC(N3Cc4c(C)cccc4NC3=O)CC2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.43
▸ HPGD P15428 1/20 0.42
▸ POLB P06746 2/20 0.41
▸ MALT1 Q9UDY8 3/20 0.41
▸ NAMPT P43490 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ 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
▸ ACHE P22303 1/20 0.40
▸ BACE1 P56817 1/20 0.40
▸ MET P08581 3/20 0.40
▸ USP2 O75604 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CHKA P35790 1/20 0.39
▸ CHKB Q9Y259 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 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
SCHEMBL31185102 0.92 POLB (0.44) HPGDPOLBMALT1SMN1; SMN2ALDH1A1
SCHEMBL31184406 0.90 POLB (0.43) HPGDPOLBMALT1SMN1; SMN2ALDH1A1
SCHEMBL31185080 0.90 MALT1 (0.53) HPGDMALT1SMN1; SMN2ALDH1A1TSHR
SCHEMBL31184789 0.88 ALDH1A1 (0.44) HPGDPOLBMALT1SMN1; SMN2ALDH1A1
SCHEMBL31184551 0.88 TP53 (0.41) TP53HPGDPOLBMALT1SMN1; SMN2
SCHEMBL31184895 0.88 MGLL (0.47) HPGDMALT1SMN1; SMN2LMNAHTT
SCHEMBL31185043 0.87 POLB (0.41) TP53HPGDPOLBMALT1SMN1; SMN2
SCHEMBL31184468 0.86 TP53 (0.44) TP53HPGDPOLBMALT1NAMPT
SCHEMBL31184884 0.85 POLB (0.43) TP53HPGDPOLBMALT1SMN1; SMN2
SCHEMBL31184899 0.84 MALT1 (0.45) POLBMALT1SMN1; SMN2ALDH1A1CYP1A2

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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