SCHEMBL31184952

SCHEMBL31184952

COc1cc(NC(=O)C2CCC(N3Cc4c(C)cnc(CNC(=O)OC(C)(C)C)c4NC3=O)CC2)ccc1C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHKA P35790 1/20 0.37
▸ CHKB Q9Y259 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ POLB P06746 1/20 0.35
▸ MAPKAPK2 P49137 3/20 0.35
▸ NAMPT P43490 1/20 0.35
▸ ABL1 P00519 2/20 0.35
▸ HPGD P15428 2/20 0.34
▸ MALT1 Q9UDY8 2/20 0.34
▸ TP53 P04637 1/20 0.34

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
SCHEMBL31184753 0.91 CHKA (0.39) CHKACHKBSMN1; SMN2LMNAMAPK1
SCHEMBL31184519 0.89 SMN1; SMN2 (0.38) CHKACHKBSMN1; SMN2LMNAMAPK1
SCHEMBL31184592 0.88 CHKA (0.41) CHKACHKBSMN1; SMN2MAPK1ALDH1A1
SCHEMBL31185123 0.85 CHKA (0.46) CHKACHKBSMN1; SMN2MAPK1ALDH1A1
SCHEMBL31185015 0.82 CHKA (0.40) CHKACHKBSMN1; SMN2MAPK1HTT
SCHEMBL31184841 0.82 POLB (0.45) CHKACHKBSMN1; SMN2LMNAMAPK1
SCHEMBL31184359 0.81 POLB (0.47) CHKACHKBSMN1; SMN2LMNAMAPK1
SCHEMBL31184756 0.80 POLB (0.43) CHKACHKBSMN1; SMN2LMNAMAPK1
SCHEMBL31184717 0.80 POLB (0.39) CHKACHKBSMN1; SMN2LMNAMAPK1
SCHEMBL31184731 0.79 POLB (0.41) CHKACHKBSMN1; SMN2LMNAMAPK1

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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