SCHEMBL1499518

SCHEMBL1499518

CN(C)c1ccc(Nc2ccccc2C(=O)NCCCc2ncc[nH]2)cc1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 11/20 0.57
▸ PBK Q96KB5 1/20 0.44
▸ MT-CO2 P00403 1/20 0.43
▸ PTGS1 P23219 2/20 0.41
▸ NAMPT P43490 5/20 0.40

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 0.86 PTGS2 (0.57) PTGS2PBKPTGS1NAMPT
SCHEMBL1499336 0.82 PTGS2 (0.59) PTGS2PBKMT-CO2PTGS1NAMPT
SCHEMBL1499564 0.82 NAMPT (0.49) PTGS2PBKMT-CO2PTGS1NAMPT
SCHEMBL1499648 0.80 PTGS2 (0.51) PTGS2PTGS1NAMPT
SCHEMBL11727549 0.77 NPC1 (0.59) PTGS2PBKPTGS1NAMPT
SCHEMBL1525994 0.76 TP53 (0.59) PTGS2
SCHEMBL9220304 0.74 NR1H4 (0.64) —
SCHEMBL1499591 0.73 PTGS2 (0.54) PTGS2MT-CO2PTGS1
Hydrochloric Acid SCHEMBL9227079 0.73 NR1H4 (0.62) —
SCHEMBL1499601 0.70 RAD52 (0.54) PTGS2MT-CO2PTGS1NAMPT

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
Send feedback