SCHEMBL13742001

SCHEMBL13742001

O=C(O)Cc1ccc(Oc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)c(F)c1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.67
KCNQ3 O43525 1/20 0.53
KCNQ2 O43526 1/20 0.53
KCNE1 P15382 1/20 0.53
KCNQ1 P51787 1/20 0.53
PTGDR2 Q9Y5Y4 6/20 0.49
NR1H4 Q96RI1 1/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
PKM P14618 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
BCAT2 O15382 1/20 0.47
PTGDR Q13258 1/20 0.46
PNLIP P16233 1/20 0.46
SRD5A2 P31213 1/20 0.46

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
SCHEMBL13742651 0.90 KDM4E (0.72) KDM4EPTGDR2NR1H4MEN1NPC1
SCHEMBL13742260 0.88 KDM4E (0.58) KDM4EKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL13742068 0.88 KDM4E (0.58) KDM4EKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL13742003 0.88 KDM4E (0.64) KDM4EKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL13742693 0.88 KDM4E (0.67) KDM4EPTGDR2NR1H4MEN1NPC1
SCHEMBL2981115 0.87 KDM4E (0.66) KDM4EPTGDR2NR1H4MEN1MAPT
SCHEMBL13742527 0.85 KDM4E (0.55) KDM4EKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL8915769 0.85 KDM4E (0.53) KDM4EKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL3137838 0.85 KDM4E (0.53) KDM4EKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL12761132 0.85 KDM4E (0.64) KDM4EPTGDR2NR1H4MEN1NPC1

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