SCHEMBL14184487

SCHEMBL14184487

Cc1ccc(Nc2nc(C)nc(Nc3cccc(C)c3)n2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.61
KCNH3 Q9ULD8 2/20 0.60
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
POLB P06746 2/20 0.55
APP P05067 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
AURKA O14965 2/20 0.52
HTT P42858 1/20 0.52
TP53 P04637 2/20 0.52
MAPT P10636 2/20 0.52
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
SLC2A1 P11166 2/20 0.50
TNNI3K Q59H18 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
NOD1 Q9Y239 1/20 0.50

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
SCHEMBL4544781 0.95 NFKB1 (0.67) NFKB1KCNH3CA12CA1CA2
SCHEMBL4544841 0.95 NFKB1 (0.67) NFKB1KCNH3CA12CA1CA2
SCHEMBL821689 0.93 NFKB1 (0.69) NFKB1KCNH3CA12CA1CA2
SCHEMBL4544862 0.92 KCNH3 (0.70) NFKB1KCNH3CA12CA1CA2
SCHEMBL12530695 0.92 KCNH3 (0.70) NFKB1KCNH3CA12CA1CA2
SCHEMBL12642711 0.89 NFKB1 (0.65) NFKB1KCNH3CA12CA1CA2
SCHEMBL14583173 0.88 NFKB1 (0.63) NFKB1KCNH3CA12CA1CA2
SCHEMBL762506 0.88 NFKB1 (0.76) NFKB1KCNH3CA12CA1CA2
SCHEMBL30240628 0.88 NFKB1 (0.76) NFKB1KCNH3CA12CA1CA2
SCHEMBL12154996 0.87 NFKB1 (0.58) NFKB1KCNH3CA12CA1CA2

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
EP-1936431-A2 Liquid crystal display device FUJIFILM Corporation (JP) 2008-06-25 EP disclosed