SCHEMBL31184672

SCHEMBL31184672

COc1cc(NC(=O)C2(C)CCC(N3Cc4c(C)ccc(OC)c4NC3=O)CC2)ccc1C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.36
▸ CRHBP P24387 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ GRM4 Q14833 1/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SHMT2 P34897 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL31184478 0.94 MAPT (0.38) MAPTCRHBPCRHR2CNR1CNR2
SCHEMBL31184793 0.92 ALDH1A1 (0.42) MAPTALDH1A1SMN1; SMN2L3MBTL1MEN1
SCHEMBL31184867 0.91 ALDH1A1 (0.44) MAPTCRHBPCRHR2CNR1CNR2
SCHEMBL31184643 0.88 PARP1 (0.37) MAPTCRHBPCRHR2CNR1CNR2
SCHEMBL31184638 0.88 PARP1 (0.37) MAPTCRHBPCRHR2CNR1CNR2
SCHEMBL31184987 0.85 HTR2B (0.36) MAPTCRHBPCRHR2
SCHEMBL31184359 0.85 POLB (0.47) MAPTALDH1A1MAPK1CYP1A2CYP3A4
SCHEMBL31184778 0.83 MAPT (0.40) MAPTCNR1CNR2GRM4PARP1
SCHEMBL31184984 0.83 HTR2A (0.38) MAPTCRHBPCRHR2PARP1MEN1
SCHEMBL31185021 0.82 MAPT (0.36) MAPTCRHBPCRHR2CNR1CNR2

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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