SCHEMBL31184889

SCHEMBL31184889

CCOC(=O)C1C2CC(N3Cc4c(Br)cccc4C3=O)CC21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ MAP1LC3B Q9GZQ8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ KCNH2 Q12809 1/20 0.36
▸ HTR2A P28223 2/20 0.35
▸ HTR2C P28335 2/20 0.35
▸ HTR2B P41595 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ MAPT P10636 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ LMNA P02545 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ USP2 O75604 1/20 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
SCHEMBL31184759 0.83 MAPK1 (0.40) HTR2AHTR2CHTR2BMAPK1
SCHEMBL31184760 0.83 MAPK1 (0.40) HTR2AHTR2CHTR2BMAPK1
SCHEMBL34472625 0.75 L3MBTL1 (0.59) TSHRCYP1A2CYP2C19L3MBTL1KCNH2
SCHEMBL31184453 0.74 GRM1 (0.40) MAPTGAAMEN1KMT2A
SCHEMBL31184880 0.73 MAPK1 (0.45) HTR2AHTR2CHTR2BMAPK1ALDH1A1
SCHEMBL20596029 0.71 ALOX15 (0.52) TSHRL3MBTL1ALDH1A1MAPTGAA
SCHEMBL31184577 0.70 MAPK1 (0.46) HTR2AHTR2CHTR2BMAPK1
Hydrochloric Acid SCHEMBL31184864 0.68 HTR2B (0.48) HTR2AHTR2CHTR2BMAPK1
SCHEMBL31184839 0.68 IDH1 (0.39) TSHRL3MBTL1HTR2AHTR2CHTR2B
SCHEMBL23857271 0.68 MAPT (0.56) TSHRCYP1A2CYP2C19MAPK1ALDH1A1

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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