SCHEMBL1499564

SCHEMBL1499564

O=C(NCCCc1ncc[nH]1)c1ccccc1Nc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 5/20 0.49
▸ DHODH Q02127 1/20 0.44
▸ PTGS2 P35354 3/20 0.44
▸ SLC6A5 Q9Y345 1/20 0.42
▸ PBK Q96KB5 1/20 0.42
▸ ABL1 P00519 1/20 0.41
▸ BCR P11274 1/20 0.41
▸ MT-CO2 P00403 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ 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 0.87 PTGS2 (0.57) NAMPTPTGS2PBKPTGS1RAB9A
SCHEMBL1499531 0.86 NAMPT (0.55) NAMPTABL1BCRNPC1RAB9A
SCHEMBL1499518 0.82 PTGS2 (0.57) NAMPTPTGS2PBKMT-CO2PTGS1
SCHEMBL1499336 0.79 PTGS2 (0.59) NAMPTPTGS2PBKMT-CO2PTGS1
SCHEMBL1499648 0.79 PTGS2 (0.51) NAMPTPTGS2PTGS1MEN1MAPT
SCHEMBL12766869 0.79 MCHR1 (0.55) PTGS2SLC6A5HDAC3HDAC1MAPT
SCHEMBL1499543 0.78 MCHR1 (0.48) DHODHPTGS2ABL1MT-CO2PTGS1
SCHEMBL1526009 0.77 TP53 (0.61) NAMPTMEN1MAPTKMT2A
SCHEMBL1499645 0.76 MCHR1 (0.62) PTGS2KMT2A
SCHEMBL12964914 0.76 PTGS2 (0.47) DHODHPTGS2MT-CO2PTGS1MEN1

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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