SCHEMBL23356124

SCHEMBL23356124

O=C(O)CNc1n[nH]c2nc(Nc3cccc4c3CCC4)c(F)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 5/20 0.42
▸ RXRB P28702 5/20 0.42
▸ RXRG P48443 5/20 0.42
▸ PPARA Q07869 3/20 0.42
▸ PPARG P37231 2/20 0.42
▸ ALOX5 P09917 2/20 0.42
▸ PPARD Q03181 1/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ THRA P10827 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ NISCH Q9Y2I1 1/20 0.35
▸ ULK1 O75385 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
SCHEMBL29874791 0.90 ALOX5 (0.39) RXRARXRBRXRGPPARAPPARG
SCHEMBL23356047 0.85 ALDH1A1 (0.42) RXRARXRBRXRGPPARAPPARG
SCHEMBL30791290 0.85 ALDH1A1 (0.42) RXRARXRBRXRGPPARAPPARG
SCHEMBL30791245 0.83 NISCH (0.42) RXRARXRBRXRGPPARAPPARG
SCHEMBL23356090 0.83 NISCH (0.42) RXRARXRBRXRGPPARAPPARG
SCHEMBL23356014 0.82 NISCH (0.43) RXRARXRBRXRGPPARAPPARG
SCHEMBL30791277 0.82 NISCH (0.43) RXRARXRBRXRGPPARAPPARG
SCHEMBL23356021 0.82 NISCH (0.42) RXRARXRBRXRGPPARAPPARG
SCHEMBL30791210 0.82 NISCH (0.42) RXRARXRBRXRGPPARAPPARG
SCHEMBL23356109 0.81 GSK3A (0.47) NISCHULK1

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
EP-3822270-A1 NOVEL HETEROCYCLE DERIVATIVE JW Pharmaceutical Corporation (KR) 2021-05-19 — — EP disclosed
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