SCHEMBL14516675

SCHEMBL14516675

O=C(Nc1cnc(Cl)nc1)c1nc2ccccc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 2/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
KMT2A Q03164 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
ROCK2 O75116 1/20 0.47
CNR2 P34972 1/20 0.47
KCNQ3 O43525 1/20 0.47
KCNQ2 O43526 1/20 0.47
KCNE1 P15382 1/20 0.47
KCNQ1 P51787 1/20 0.47
KCNQ5 Q9NR82 1/20 0.47
SIRT1 Q96EB6 1/20 0.46
HPSE Q9Y251 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
SCHEMBL14340101 0.87 KCNQ3 (0.57) FAAHNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL14516678 0.84 KCNQ3 (0.51) FAAHNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL28372986 0.83 RAB9A (0.71) FAAHNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL14516681 0.83 KCNQ3 (0.54) FAAHNPC1RAB9AMEN1KMT2A
SCHEMBL4437426 0.83 MMP2 (0.58) FAAHNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL14516688 0.81 EGLN1 (0.56) LMNAKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL29518293 0.81 FAAH (0.62) FAAHNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL28372959 0.81 FAAH (0.62) FAAHNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL14516692 0.80 KCNQ3 (0.43) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL29518652 0.80 NPC1 (0.54) NPC1RAB9ASMN1; SMN2KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7205307-B2 Pyrimidines as novel openers of potassium ion channels ICAGEN, INC. (US) 2007-04-17 US disclosed
US-7205307-B2 Pyrimidines as novel openers of potassium ion channels ICAGEN, INC. (US) 2007-04-17 US disclosed