SCHEMBL24745446

SCHEMBL24745446

CCCCc1cc(C(=O)OC)c2nc(C)n(CC(=O)OC(C)(C)C)c2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 5/20 0.35
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
DCTPP1 Q9H773 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TLR8 Q9NR97 1/20 0.33
CACNA1B Q00975 1/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
PLA2G4A P47712 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
AGTR1 P30556 1/20 0.31
AGTR2 P50052 1/20 0.31

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
SCHEMBL24745449 0.84 CACNA1B (0.40) TLR7KDM4EGAAMAPTDCTPP1
SCHEMBL24745728 0.83 ALDH1A1 (0.37) TLR7KDM4EGAAMAPTDCTPP1
SCHEMBL24745532 0.82 DCTPP1 (0.38) TLR7KDM4EMAPTDCTPP1ALDH1A1
SCHEMBL24745467 0.82 ALDH1A1 (0.37) TLR7KDM4EGAAMAPTDCTPP1
SCHEMBL24744896 0.82 KDM4E (0.36) TLR7KDM4EGAAMAPTDCTPP1
SCHEMBL24745413 0.82 BRD4 (0.38) TLR7KDM4EGAAMAPTDCTPP1
SCHEMBL29893726 0.78 PKN1 (0.47) KDM4EGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL24744762 0.78 PKN1 (0.47) KDM4EGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL24745533 0.76 PRMT5 (0.35) TLR7KDM4EDCTPP1ALDH1A1CACNA1B
SCHEMBL31090575 0.76 PRMT5 (0.35) TLR7KDM4EDCTPP1ALDH1A1CACNA1B

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-2022253713-A1 TARGETED PROTEIN DEGRADATION USING BIFUNCTIONAL COMPOUNDS THAT BIND UBIQUITIN LIGASE AND TARGET MCL-1 PROTEIN CAPTOR THERAPEUTICS S.A. (PL) 2022-12-08 WO disclosed