SCHEMBL31184632

SCHEMBL31184632

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.46
▸ HTR2A P28223 2/20 0.42
▸ HTR2C P28335 2/20 0.42
▸ HTR2B P41595 2/20 0.42
▸ IDH1 O75874 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ RAB9A P51151 1/20 0.38
▸ CDK4 P11802 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CRBN Q96SW2 1/20 0.36
▸ LRRK2 Q5S007 1/20 0.36
▸ BTK Q06187 1/20 0.35

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
SCHEMBL31184880 0.87 MAPK1 (0.45) MAPK1HTR2AHTR2CHTR2BIDH1
SCHEMBL31184529 0.86 MAPK1 (0.49) MAPK1HTR2AHTR2CHTR2BIDH1
SCHEMBL31184452 0.85 MAPK1 (0.51) MAPK1HTR2AHTR2CHTR2BIDH1
SCHEMBL31184816 0.85 MAPK1 (0.48) MAPK1HTR2AHTR2CHTR2BIDH1
SCHEMBL31184698 0.81 CHRM4 (0.36) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL31184494 0.81 KDM1A (0.39) MAPK1IDH1ALDH1A1BTK
SCHEMBL31184630 0.81 HPGD (0.44) MAPK1RAB9ABTK
SCHEMBL31184751 0.80 MTNR1A (0.53) MEN1KMT2AALDH1A1MAPT
SCHEMBL31185026 0.80 KMT2A (0.48) MAPK1MEN1KMT2ARAB9AALDH1A1
SCHEMBL31184979 0.79 ALDH1A1 (0.46) MAPK1MEN1KMT2ARAB9AALDH1A1

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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