SCHEMBL1499648

SCHEMBL1499648

COc1cccc(Nc2ccccc2C(=O)NCCCc2ncc[nH]2)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 3/20 0.51
▸ PTGS1 P23219 1/20 0.51
▸ NAMPT P43490 7/20 0.50
▸ KMT2A Q03164 4/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ MAPT P10636 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ PKM P14618 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ SIRT2 Q8IXJ6 2/20 0.43
▸ GPR52 Q9Y2T5 1/20 0.43
▸ CNR2 P34972 1/20 0.43
▸ AKR1C3 P42330 1/20 0.43
▸ AKR1C2 P52895 1/20 0.43

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
SCHEMBL1499544 0.89 PTGS2 (0.57) PTGS2PTGS1NAMPTKMT2AMEN1
SCHEMBL1499336 0.81 PTGS2 (0.59) PTGS2PTGS1NAMPTKMT2AHTT
SCHEMBL1499518 0.80 PTGS2 (0.57) PTGS2PTGS1NAMPT
SCHEMBL1499564 0.79 NAMPT (0.49) PTGS2PTGS1NAMPTKMT2AMEN1
SCHEMBL1525857 0.77 TP53 (0.68) NAMPTKMT2AMEN1MAPTALDH1A1
SCHEMBL29973069 0.77 TP53 (0.68) NAMPTKMT2AMEN1MAPTALDH1A1
SCHEMBL19286473 0.75 NAMPT (0.72) NAMPTKMT2AMEN1MAPTALDH1A1
SCHEMBL11727549 0.75 NPC1 (0.59) PTGS2PTGS1NAMPTKMT2AMEN1
SCHEMBL28667666 0.73 MT-CO2 (0.63) PTGS2PTGS1KMT2AMEN1MAPT
SCHEMBL9220304 0.72 NR1H4 (0.64) ALDH1A1MAPK1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011509280-A — — 2011-03-24 — — JP claimed
EP-2235000-A2 CHEMICAL MOLECULES THAT INHIBIT THE SLICING MECHANISM FOR TREATING DISEASES RESULTING FROM SPLICING ANOMALIES Centre National de la Recherche Scientifique (CNRS) (FR) 2010-10-06 — — EP claimed
WO-2009087238-A9 CHEMICAL MOLECULES THAT INHIBIT THE SLICING MECHANISM FOR TREATING DISEASES RESULTING FROM SPLICING ANOMALIES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2010-02-25 — — WO claimed
WO-2009087238-A2 CHEMICAL MOLECULES THAT INHIBIT THE SLICING MECHANISM FOR TREATING DISEASES RESULTING FROM SPLICING ANOMALIES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2009-07-16 — — WO claimed
EP-2235000-A2 CHEMICAL MOLECULES THAT INHIBIT THE SLICING MECHANISM FOR TREATING DISEASES RESULTING FROM SPLICING ANOMALIES Centre National de la Recherche Scientifique (CNRS) (FR) 2010-10-06 — — EP disclosed
WO-2009087238-A9 CHEMICAL MOLECULES THAT INHIBIT THE SLICING MECHANISM FOR TREATING DISEASES RESULTING FROM SPLICING ANOMALIES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2010-02-25 — — WO disclosed
WO-2009087238-A2 CHEMICAL MOLECULES THAT INHIBIT THE SLICING MECHANISM FOR TREATING DISEASES RESULTING FROM SPLICING ANOMALIES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2009-07-16 — — WO disclosed
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