SCHEMBL31184750

SCHEMBL31184750

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

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.34
▸ KDM1A O60341 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ ADRB2 P07550 1/20 0.31
▸ RAB9A P51151 1/20 0.31

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
SCHEMBL31184615 0.90 LMNA (0.31) ADRB2
SCHEMBL31184568 0.89 MAPK1 (0.32) KDM1AALDH1A1
SCHEMBL31184614 0.84 ALDH1A1 (0.40) ALDH1A1
SCHEMBL31184642 0.84 ALDH1A1 (0.40) ALDH1A1
SCHEMBL31185053 0.83 TP53 (0.40) ALDH1A1RAB9A
SCHEMBL31184767 0.82 MALT1 (0.45) ALDH1A1
SCHEMBL31184824 0.81 ALDH1A1 (0.37) ALDH1A1
SCHEMBL31184949 0.81 ALDH1A1 (0.39) ALDH1A1
SCHEMBL31184992 0.80 MGLL (0.41) ALDH1A1
SCHEMBL31184494 0.78 KDM1A (0.39) BTKKDM1AALDH1A1

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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