SCHEMBL1499544

SCHEMBL1499544

COc1ccc(Nc2ccccc2C(=O)NCCCc2ncc[nH]2)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 3/20 0.57
▸ NAMPT P43490 4/20 0.51
▸ PTGS1 P23219 1/20 0.51
▸ MAPK1 P28482 2/20 0.48
▸ TP53 P04637 1/20 0.48
▸ KMT2A Q03164 6/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ MAPT P10636 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ PBK Q96KB5 1/20 0.44
▸ RAB9A P51151 1/20 0.43
▸ NPSR1 Q6W5P4 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
SCHEMBL1499648 0.89 PTGS2 (0.51) PTGS2NAMPTPTGS1MAPK1KMT2A
SCHEMBL1499564 0.87 NAMPT (0.49) PTGS2NAMPTPTGS1KMT2AMEN1
SCHEMBL1499518 0.86 PTGS2 (0.57) PTGS2NAMPTPTGS1PBK
SCHEMBL1499336 0.82 PTGS2 (0.59) PTGS2NAMPTPTGS1KMT2AHTT
SCHEMBL28667666 0.80 MT-CO2 (0.63) PTGS2PTGS1KMT2AMEN1MAPT
SCHEMBL1499478 0.80 PTGS2 (0.59) PTGS2PTGS1MAPK1TP53KMT2A
SCHEMBL29973570 0.80 PTGS2 (0.59) PTGS2PTGS1MAPK1TP53KMT2A
SCHEMBL12767204 0.78 KMT2A (0.65) PTGS2PTGS1MAPK1TP53KMT2A
SCHEMBL10989397 0.78 PTGS2 (0.64) PTGS2PTGS1MAPK1TP53KMT2A
SCHEMBL1499413 0.77 PTGS2 (0.61) PTGS2PTGS1MAPK1KMT2AMEN1

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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