SCHEMBL31504358

SCHEMBL31504358

O=C(NCCC1CCCCC1)c1cccc(Nc2ccc(OCc3ccccn3)cc2C2CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ RHOA P61586 1/20 0.40
▸ BRD4 O60885 2/20 0.40
▸ GPR132 Q9UNW8 1/20 0.39
▸ LDLR P01130 1/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.39
▸ CNR2 P34972 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ SMO Q99835 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ RAB9A P51151 1/20 0.37
▸ ALOX5 P09917 1/20 0.37
▸ CHRM4 P08173 2/20 0.37

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
SCHEMBL21617185 1.00 HPGD (0.40) HPGDMEN1KMT2ARHOABRD4
SCHEMBL31504340 0.99 BRD4 (0.40) HPGDMEN1KMT2ARHOABRD4
SCHEMBL21617246 0.99 BRD4 (0.40) HPGDMEN1KMT2ARHOABRD4
SCHEMBL21617270 0.91 CHRM4 (0.40) HPGDMEN1KMT2ARHOABRD4
SCHEMBL31504437 0.91 CHRM4 (0.40) HPGDMEN1KMT2ARHOABRD4
SCHEMBL31504384 0.91 BRD4 (0.41) HPGDMEN1KMT2ARHOABRD4
SCHEMBL21617173 0.91 BRD4 (0.41) HPGDMEN1KMT2ARHOABRD4
SCHEMBL21617243 0.90 LDLR (0.45) HPGDMEN1KMT2ARHOABRD4
SCHEMBL31504431 0.90 LDLR (0.45) HPGDMEN1KMT2ARHOABRD4
SCHEMBL21617192 0.90 BRD4 (0.42) HPGDMEN1KMT2ARHOABRD4

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
CN-112638877-B Phenyl/pyridinyl-N-phenyl/pyridinyl derivatives for the treatment of RNA viral infections ABIVAX公司 2025-04-22 — — CN disclosed
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