SCHEMBL14516645

SCHEMBL14516645

O=C(Nc1cnc(Cl)nc1)c1ccc(F)cc1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 8/20 0.72
KCNQ2 O43526 8/20 0.72
KCNQ5 Q9NR82 6/20 0.72
KCNE1 P15382 6/20 0.71
KCNQ1 P51787 6/20 0.71
BACE1 P56817 1/20 0.71
P4HTM Q9NXG6 2/20 0.60
PTPN1 P18031 2/20 0.59
PTPN6 P29350 1/20 0.59
PTPN11 Q06124 1/20 0.59
CYP11B1 P15538 1/20 0.58
CYP11B2 P19099 1/20 0.58
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
MITF O75030 1/20 0.57
KDM4E B2RXH2 1/20 0.56
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54

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
SCHEMBL16436052 0.88 KCNQ3 (0.65) KCNQ3KCNQ2KCNQ5KCNE1KCNQ1
SCHEMBL14516646 0.88 KCNQ3 (0.71) KCNQ3KCNQ2KCNQ5KCNE1KCNQ1
SCHEMBL14516640 0.85 KCNQ3 (0.74) KCNQ3KCNQ2KCNQ5KCNE1KCNQ1
SCHEMBL14516679 0.85 KCNQ3 (0.61) KCNQ3KCNQ2KCNQ5KCNE1KCNQ1
SCHEMBL14516639 0.84 KCNQ3 (0.71) KCNQ3KCNQ2KCNQ5KCNE1KCNQ1
SCHEMBL5343768 0.84 KCNQ3 (1.00) KCNQ3KCNQ2KCNQ5KCNE1KCNQ1
SCHEMBL5214418 0.83 KCNQ3 (1.00) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL5348385 0.83 KCNQ3 (1.00) KCNQ3KCNQ2KCNQ5KCNE1KCNQ1
SCHEMBL14516674 0.83 KCNQ3 (0.81) KCNQ3KCNQ2KCNQ5KCNE1KCNQ1
SCHEMBL5346150 0.83 KCNQ3 (1.00) KCNQ3KCNQ2KCNQ5KCNE1KCNQ1

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