SCHEMBL31184568

SCHEMBL31184568

Cc1cc(NCCN(C)C)cc2c1CN(C1CCC(C(N)=O)CC1)C2=O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.32
▸ SYK P43405 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ POLB P06746 2/20 0.32
▸ TSHR P16473 1/20 0.31
▸ KDM1A O60341 1/20 0.30

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 0.91 LMNA (0.31) MAPK1POLB
SCHEMBL31184750 0.89 BTK (0.34) ALDH1A1KDM1A
SCHEMBL31184614 0.84 ALDH1A1 (0.40) MAPK1ALDH1A1POLBTSHR
SCHEMBL31185053 0.82 TP53 (0.40) MAPK1ALDH1A1POLB
SCHEMBL31184992 0.81 MGLL (0.41) ALDH1A1POLBTSHR
SCHEMBL31184642 0.81 ALDH1A1 (0.40) MAPK1ALDH1A1POLB
SCHEMBL31184767 0.81 MALT1 (0.45) ALDH1A1
SCHEMBL31184949 0.80 ALDH1A1 (0.39) MAPK1ALDH1A1POLB
SCHEMBL31184544 0.79 HTR2C (0.36) POLBTSHR
SCHEMBL31184824 0.79 ALDH1A1 (0.37) MAPK1ALDH1A1POLB

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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