SCHEMBL31184753

SCHEMBL31184753

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHKA P35790 1/20 0.39
▸ CHKB Q9Y259 1/20 0.39
▸ POLB P06746 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ ROS1 P08922 1/20 0.37
▸ ALK Q9UM73 1/20 0.37
▸ HPGD P15428 2/20 0.36
▸ MALT1 Q9UDY8 3/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ TP53 P04637 2/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ ACHE P22303 1/20 0.35

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
SCHEMBL31184952 0.91 CHKA (0.37) CHKACHKBPOLBSMN1; SMN2ALDH1A1
SCHEMBL31184592 0.91 CHKA (0.41) CHKACHKBPOLBSMN1; SMN2ALDH1A1
SCHEMBL31184717 0.88 POLB (0.39) CHKACHKBPOLBSMN1; SMN2ALDH1A1
SCHEMBL31185123 0.86 CHKA (0.46) CHKACHKBPOLBSMN1; SMN2ALDH1A1
SCHEMBL31185015 0.84 CHKA (0.40) CHKACHKBPOLBSMN1; SMN2ALDH1A1
SCHEMBL31184841 0.84 POLB (0.45) CHKACHKBPOLBSMN1; SMN2ALDH1A1
SCHEMBL31184359 0.83 POLB (0.47) CHKACHKBPOLBSMN1; SMN2ALDH1A1
SCHEMBL31184722 0.83 POLB (0.38) CHKACHKBPOLBSMN1; SMN2ALDH1A1
SCHEMBL31184756 0.82 POLB (0.43) CHKACHKBPOLBSMN1; SMN2ALDH1A1
SCHEMBL31184644 0.81 MAPT (0.43) CHKACHKBPOLBSMN1; SMN2ALDH1A1

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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