SCHEMBL4536602

SCHEMBL4536602

NC(=O)Cc1ccc(-c2cncnc2)c(-c2cncnc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.42
AR P10275 2/20 0.41
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
NFKB1 P19838 1/20 0.40
STAT1 P42224 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SLC22A12 Q96S37 1/20 0.38

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
SCHEMBL5178108 0.77 AKT1 (0.43) NPC1HPGDNFKB1STAT1RAB9A
SCHEMBL474360 0.74 CA2 (0.46) CA2
SCHEMBL11138765 0.72 ATM (0.47)
SCHEMBL19338493 0.70 EGFR (0.51) CA2ARNPC1HPGDNFKB1
SCHEMBL11593687 0.68 CA2 (0.46) CA2NPC1HPGDNFKB1STAT1
SCHEMBL11290860 0.67 CA2 (0.80) CA2KDM4EALDH1A1
SCHEMBL17080177 0.67 FFAR1 (0.44) ALDH1A1
SCHEMBL28174998 0.67 HPGD (0.51) CA2NPC1HPGDNFKB1STAT1
SCHEMBL5176875 0.67 EPHX2 (0.55) ALDH1A1
SCHEMBL13492969 0.66 MKNK1 (0.63) CA2ALDH1A1SLC22A12BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663237-A4 FUSED RING HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN INC (US) 2009-04-29 EP disclosed
EP-1663237-A2 FUSED RING HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS Icagen, Inc. (US) 2006-06-07 EP disclosed
WO-2005025293-A2 FUSED RING HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2005-03-24 WO disclosed