SCHEMBL31184982

SCHEMBL31184982

COc1ccc(NC(=O)C2(C)CCC(N3Cc4c(C)cccc4NC3=O)CC2)cc1C#N

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.42
▸ IMPDH2 P12268 2/20 0.38
▸ MAPT P10636 3/20 0.36
▸ BCAT1 P54687 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ IMPDH1 P20839 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ GRM1 Q13255 1/20 0.32
▸ CRHBP P24387 1/20 0.32
▸ CRHR2 Q13324 1/20 0.32
▸ PARP1 P09874 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ MET P08581 1/20 0.32
▸ AXL P30530 1/20 0.32
▸ EGLN2 Q96KS0 1/20 0.32
▸ SLK Q9H2G2 1/20 0.32

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
SCHEMBL31185021 0.91 MAPT (0.36) ALDH1A1MAPTPOLBTP53THRB
SCHEMBL31184643 0.89 PARP1 (0.37) MAPTPOLBCRHBPCRHR2PARP1
SCHEMBL31184638 0.89 PARP1 (0.37) MAPTPOLBCRHBPCRHR2PARP1
SCHEMBL31184579 0.89 ALDH1A1 (0.42) ALDH1A1MAPTPOLBTP53
SCHEMBL31184867 0.89 ALDH1A1 (0.44) ALDH1A1IMPDH2MAPTCRHBPCRHR2
SCHEMBL31184789 0.87 ALDH1A1 (0.44) ALDH1A1IMPDH2MAPTPOLBCYP1A2
SCHEMBL31184478 0.79 MAPT (0.38) ALDH1A1MAPTPOLBTP53CRHBP
SCHEMBL31184672 0.79 MAPT (0.36) ALDH1A1MAPTCRHBPCRHR2PARP1
SCHEMBL31184778 0.78 MAPT (0.40) MAPTPOLBGRM1PARP1MET
SCHEMBL31184736 0.76 CDK5 (0.36) —

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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