SCHEMBL13742003

SCHEMBL13742003

O=C(O)Cc1ccc(Oc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2F)c(Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.64
MEN1 O00255 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 1/20 0.51
PKM P14618 1/20 0.51
PTGDR2 Q9Y5Y4 9/20 0.49
PTGDR Q13258 2/20 0.46
KCNQ3 O43525 1/20 0.45
KCNQ2 O43526 1/20 0.45
KCNE1 P15382 1/20 0.45
KCNQ1 P51787 1/20 0.45
MAOB P27338 1/20 0.45
POLB P06746 1/20 0.45
HPSE Q9Y251 1/20 0.44

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
SCHEMBL13742001 0.88 KDM4E (0.67) KDM4EMEN1NPC1RAB9AKMT2A
SCHEMBL13742686 0.88 KDM4E (0.64) KDM4EMEN1NPC1RAB9AKMT2A
SCHEMBL13742071 0.87 MAPT (0.48) KDM4EMEN1NPC1RAB9AKMT2A
SCHEMBL13742651 0.86 KDM4E (0.72) KDM4EMEN1NPC1RAB9AKMT2A
SCHEMBL13742068 0.83 KDM4E (0.58) KDM4ENPC1RAB9APTGDR2KCNQ3
SCHEMBL13742260 0.83 KDM4E (0.58) KDM4EPTGDR2KCNQ3KCNQ2KCNE1
SCHEMBL13742510 0.82 KDM4E (0.62) KDM4EMEN1NPC1RAB9AKMT2A
SCHEMBL13742500 0.82 KDM4E (0.61) KDM4EMEN1NPC1RAB9AKMT2A
SCHEMBL13742527 0.81 KDM4E (0.55) KDM4EPTGDR2PTGDRKCNQ3KCNQ2
SCHEMBL8915769 0.81 KDM4E (0.53) KDM4EMEN1NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009096526-A1 CARBOXYLIC ACID COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-08-06 WO disclosed