SCHEMBL1499336

SCHEMBL1499336

O=C(NCCCc1ncc[nH]1)c1ccccc1Nc1cccnc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 6/20 0.59
▸ PBK Q96KB5 1/20 0.45
▸ MT-CO2 P00403 1/20 0.44
▸ EPHX2 P34913 1/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ HTT P42858 1/20 0.42
▸ NAMPT P43490 3/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ FLT4 P35916 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ KMT2A Q03164 1/20 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 0.82 PTGS2 (0.57) PTGS2PBKPTGS1HTTNAMPT
SCHEMBL1499518 0.82 PTGS2 (0.57) PTGS2PBKMT-CO2PTGS1NAMPT
SCHEMBL1499648 0.81 PTGS2 (0.51) PTGS2PTGS1HTTNAMPTKMT2A
SCHEMBL1499482 0.81 PTGS2 (0.58) PTGS2MT-CO2HTTCDK2FLT4
SCHEMBL1499564 0.79 NAMPT (0.49) PTGS2PBKMT-CO2PTGS1NAMPT
SCHEMBL1499494 0.79 PTGS2 (0.56) PTGS2MT-CO2TSHRKMT2A
SCHEMBL11727549 0.79 NPC1 (0.59) PTGS2PBKPTGS1HTTNAMPT
SCHEMBL1499541 0.78 PTGS2 (0.60) PTGS2MT-CO2TSHR
SCHEMBL1525960 0.75 ALDH1A1 (0.59) PTGS2KMT2A
SCHEMBL28674792 0.74 PTGS2 (1.00) PTGS2PTGS1KMT2A

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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