SCHEMBL14516639

SCHEMBL14516639

O=C(Nc1cnc(Cl)nc1)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 8/20 0.71
KCNQ2 O43526 8/20 0.71
KCNQ5 Q9NR82 6/20 0.71
KCNE1 P15382 4/20 0.71
KCNQ1 P51787 4/20 0.71
BCAT2 O15382 2/20 0.64
P4HTM Q9NXG6 1/20 0.61
KDR P35968 1/20 0.58
PTPN2 P17706 1/20 0.58
PTPN1 P18031 1/20 0.58
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
MAPT P10636 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
JAK2 O60674 1/20 0.56
TYK2 P29597 1/20 0.56
NAMPT P43490 1/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56

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
SCHEMBL14516644 0.90 KCNQ3 (0.74) KCNQ3KCNQ2KCNQ5KCNE1KCNQ1
SCHEMBL14516646 0.86 KCNQ3 (0.71) KCNQ3KCNQ2KCNQ5KCNE1KCNQ1
SCHEMBL14516645 0.84 KCNQ3 (0.72) KCNQ3KCNQ2KCNQ5KCNE1KCNQ1
SCHEMBL5345894 0.83 KCNQ3 (1.00) KCNQ3KCNQ2KCNQ5KCNE1KCNQ1
SCHEMBL5217004 0.83 KCNQ3 (1.00) KCNQ3KCNQ2KCNE1KCNQ1P4HTM
SCHEMBL14516679 0.83 KCNQ3 (0.61) KCNQ3KCNQ2KCNQ5KCNE1KCNQ1
SCHEMBL14854999 0.82 BCAT2 (0.64) KCNQ3KCNQ2BCAT2P4HTMKDR
SCHEMBL5346150 0.81 KCNQ3 (1.00) KCNQ3KCNQ2KCNQ5KCNE1KCNQ1
SCHEMBL14516640 0.80 KCNQ3 (0.74) KCNQ3KCNQ2KCNQ5KCNE1KCNQ1
SCHEMBL12190155 0.79 HDAC6 (0.64) KCNQ3KCNQ2BCAT2P4HTMKDR

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