SCHEMBL31184452

SCHEMBL31184452

Cc1cccc2c1CN(C1CCC(C(N)=O)CC1)C2=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.51
▸ HTR2A P28223 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ HTR2B P41595 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.41
▸ PARP2 Q9UGN5 3/20 0.39
▸ PARP1 P09874 6/20 0.39
▸ IDH1 O75874 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ CDK4 P11802 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CRBN Q96SW2 2/20 0.38
▸ TSHR P16473 1/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ TNF P01375 1/20 0.37
▸ IL1B P01584 1/20 0.37
▸ IKZF1 Q13422 1/20 0.37

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
SCHEMBL31184529 0.88 MAPK1 (0.49) MAPK1HTR2AHTR2CHTR2BIDH1
SCHEMBL31184816 0.87 MAPK1 (0.48) MAPK1HTR2AHTR2CHTR2BPARP2
SCHEMBL31184632 0.85 MAPK1 (0.46) MAPK1HTR2AHTR2CHTR2BALDH1A1
SCHEMBL31185026 0.79 KMT2A (0.48) MAPK1ALDH1A1POLBHTTESR2
SCHEMBL31184475 0.79 POLB (0.49) MAPK1ALDH1A1POLBMEN1KMT2A
SCHEMBL31184979 0.79 ALDH1A1 (0.46) MAPK1ALDH1A1POLBMEN1KMT2A
SCHEMBL31184422 0.78 MAPK1 (0.40) MAPK1HTR2AHTR2CHTR2BALDH1A1
SCHEMBL31185049 0.77 ALDH1A1 (0.44) MAPK1ALDH1A1POLBKMT2ACRBN
SCHEMBL31184657 0.77 ALDH1A1 (0.44) MAPK1ALDH1A1KMT2ACRBNTSHR
SCHEMBL31184891 0.77 KMT2A (0.52) MAPK1ALDH1A1MEN1KMT2A

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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