SCHEMBL31184880

SCHEMBL31184880

COC(=O)C1CCC(N2Cc3c(Br)cccc3C2=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.45
▸ IDH1 O75874 1/20 0.39
▸ RAB9A P51151 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CDK4 P11802 1/20 0.36
▸ LRRK2 Q5S007 1/20 0.36
▸ CRBN Q96SW2 1/20 0.36
▸ PARP1 P09874 1/20 0.35
▸ PARP2 Q9UGN5 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ BTK Q06187 1/20 0.35
▸ SLC6A4 P31645 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ ACACB O00763 1/20 0.34
▸ GRM1 Q13255 1/20 0.34

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
SCHEMBL31184632 0.87 MAPK1 (0.46) MAPK1IDH1RAB9AALDH1A1CDK4
SCHEMBL31184574 0.81 ACE (0.37) ALDH1A1HTTSMN1; SMN2BTKSLC6A4
SCHEMBL31184345 0.78 POLB (0.42) MAPK1RAB9AALDH1A1SMN1; SMN2GRM1
SCHEMBL31184821 0.78 MAPT (0.42) ALDH1A1HTT
SCHEMBL31185072 0.76 MAPK1 (0.49) MAPK1IDH1CDK4LRRK2CRBN
SCHEMBL31184482 0.75 TP53 (0.48) —
SCHEMBL31184760 0.74 MAPK1 (0.40) MAPK1IDH1CDK4LRRK2CRBN
SCHEMBL31184759 0.74 MAPK1 (0.40) MAPK1IDH1CDK4LRRK2CRBN
SCHEMBL31184577 0.74 MAPK1 (0.46) MAPK1IDH1CDK4LRRK2CRBN
SCHEMBL31184529 0.73 MAPK1 (0.49) MAPK1IDH1CDK4CRBNHTR2A

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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