SCHEMBL31184494

SCHEMBL31184494

COC(=O)C1CCC(N2Cc3c(C)cc(N)cc3C2=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.39
▸ CA1 P00915 3/20 0.35
▸ CA2 P00918 3/20 0.35
▸ CA4 P22748 3/20 0.35
▸ CA6 P23280 3/20 0.35
▸ CA7 P43166 3/20 0.35
▸ CA9 Q16790 3/20 0.35
▸ CA13 Q8N1Q1 3/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ CA5B Q9Y2D0 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA14 Q9ULX7 1/20 0.34
▸ BTK Q06187 1/20 0.34
▸ NEK2 P51955 1/20 0.33
▸ NPY1R P25929 1/20 0.32
▸ NPY5R Q15761 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP3A4 P08684 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
SCHEMBL31184718 0.82 MAPT (0.43) KDM1A
SCHEMBL31184632 0.81 MAPK1 (0.46) MAPK1BTKALDH1A1IDH1
SCHEMBL31184585 0.80 CHKA (0.44) MAPK1LMNAALDH1A1CYP3A4CYP2C19
SCHEMBL31184750 0.78 BTK (0.34) KDM1ABTKALDH1A1
SCHEMBL31184702 0.77 POLB (0.40) MAPK1LMNAALDH1A1CYP3A4CYP2C19
SCHEMBL13719272 0.74 CRBN (0.39) BTKNPY1RNPY5R
SCHEMBL31184880 0.73 MAPK1 (0.45) MAPK1BTKALDH1A1IDH1
SCHEMBL31184821 0.73 MAPT (0.42) CA1CA2CA4CA6LMNA
SCHEMBL31184661 0.70 ALDH1A1 (0.34) KDM1AHSP90AA1BTKALDH1A1CYP3A4
SCHEMBL31184452 0.68 MAPK1 (0.51) MAPK1ALDH1A1IDH1

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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