SCHEMBL31184759

SCHEMBL31184759

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.40
▸ CRBN Q96SW2 2/20 0.35
▸ CSNK1A1 P48729 2/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ CDK5 Q00535 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33
▸ DYRK1B Q9Y463 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ CDK4 P11802 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ PARP2 Q9UGN5 1/20 0.33
▸ EDNRB P24530 3/20 0.33
▸ EDNRA P25101 3/20 0.33
▸ HTR3A P46098 2/20 0.32
▸ IKZF3 Q9UKT9 2/20 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
SCHEMBL31184760 1.00 MAPK1 (0.40) MAPK1CRBNCSNK1A1PIM1CDK5
SCHEMBL31184889 0.83 TSHR (0.38) MAPK1HTR2AHTR2CHTR2B
SCHEMBL31184577 0.76 MAPK1 (0.46) MAPK1CRBNCSNK1A1PIM1CDK5
SCHEMBL31184453 0.74 GRM1 (0.40) CRBNGRM1GSPT1
Hydrochloric Acid SCHEMBL31184864 0.74 HTR2B (0.48) MAPK1CRBNCSNK1A1PIM1CDK5
SCHEMBL31184880 0.74 MAPK1 (0.45) MAPK1CRBNLRRK2HTR2AHTR2C
SCHEMBL31184839 0.74 IDH1 (0.39) MAPK1CRBNHTR2AHTR2CHTR2B
SCHEMBL31185072 0.73 MAPK1 (0.49) MAPK1CRBNCSNK1A1PIM1CDK5
SCHEMBL6094662 0.70 PIM1 (0.41) CSNK1A1PIM1CDK5ROCK1DYRK1A
SCHEMBL31184875 0.70 FPR2 (0.44) MAPK1CRBNPARP1PARP2BRD4

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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