SCHEMBL31504436

SCHEMBL31504436

O=C(NCCC1CCCCC1)c1cc(Nc2ccc(OCc3ccccn3)cc2C2CC2)ccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CNR2 P34972 3/20 0.38
▸ RECQL P46063 1/20 0.38
▸ PDGFRA P16234 1/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ ITGB3 P05106 2/20 0.36
▸ ITGA2B P08514 2/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ NR2F2 P24468 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RHOA P61586 1/20 0.35
▸ SIRT2 Q8IXJ6 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
SCHEMBL21617228 1.00 HPGD (0.40) HPGDMEN1KMT2ACNR2RECQL
SCHEMBL31504358 0.89 HPGD (0.40) HPGDMEN1KMT2ACNR2RECQL
SCHEMBL21617185 0.89 HPGD (0.40) HPGDMEN1KMT2ACNR2RECQL
SCHEMBL21617246 0.88 BRD4 (0.40) HPGDMEN1KMT2ACNR2RHOA
SCHEMBL31504340 0.88 BRD4 (0.40) HPGDMEN1KMT2ACNR2RHOA
SCHEMBL21617176 0.87 CNR2 (0.41) HPGDMEN1KMT2ACNR2RECQL
SCHEMBL31504449 0.87 CNR2 (0.41) HPGDMEN1KMT2ACNR2RECQL
SCHEMBL31504437 0.86 CHRM4 (0.40) HPGDMEN1KMT2ACNR2RECQL
SCHEMBL21617270 0.86 CHRM4 (0.40) HPGDMEN1KMT2ACNR2RECQL
SCHEMBL21617175 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
Send feedback