SCHEMBL31504337

SCHEMBL31504337

O=C(NCCC1CCCCC1)c1ccnc(Nc2ccc(OCc3ccccn3)cc2C2CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ LDLR P01130 1/20 0.40
▸ BRD4 O60885 2/20 0.40
▸ RECQL P46063 1/20 0.38
▸ RAB9A P51151 1/20 0.37
▸ ALOX5 P09917 1/20 0.37
▸ CHRM4 P08173 1/20 0.37
▸ MAPK14 Q16539 2/20 0.37
▸ SMO Q99835 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ RHOA P61586 1/20 0.37
▸ ITGB3 P05106 2/20 0.36
▸ ITGA2B P08514 2/20 0.36

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
SCHEMBL21617175 1.00 HPGD (0.40) HPGDMEN1KMT2ALDLRBRD4
SCHEMBL31504358 0.89 HPGD (0.40) HPGDMEN1KMT2ALDLRBRD4
SCHEMBL21617185 0.89 HPGD (0.40) HPGDMEN1KMT2ALDLRBRD4
SCHEMBL21617246 0.88 BRD4 (0.40) HPGDMEN1KMT2ALDLRBRD4
SCHEMBL31504340 0.88 BRD4 (0.40) HPGDMEN1KMT2ALDLRBRD4
SCHEMBL21617176 0.87 CNR2 (0.41) HPGDMEN1KMT2ARECQLRAB9A
SCHEMBL31504449 0.87 CNR2 (0.41) HPGDMEN1KMT2ARECQLRAB9A
SCHEMBL21617270 0.86 CHRM4 (0.40) HPGDMEN1KMT2ALDLRBRD4
SCHEMBL31504437 0.86 CHRM4 (0.40) HPGDMEN1KMT2ALDLRBRD4
SCHEMBL21617228 0.86 HPGD (0.40) HPGDMEN1KMT2ARECQLRAB9A

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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