SCHEMBL5216516

SCHEMBL5216516

N#CN=C([NH])Nc1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
GAA P10253 1/20 0.47
TP53 P04637 1/20 0.46
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
PKM P14618 1/20 0.46
HIF1A Q16665 1/20 0.45
KMT2A Q03164 5/20 0.45
MEN1 O00255 3/20 0.45
ABCC9 O60706 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
ABCC8 Q09428 1/20 0.45
KCNJ11 Q14654 1/20 0.45
KCNJ8 Q15842 1/20 0.45
NAMPT P43490 1/20 0.44
ALDH1A1 P00352 2/20 0.44

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
SCHEMBL5216512 1.00 LMNA (0.53) LMNACYP11B1CYP11B2GAATP53
SCHEMBL4679717 0.81 LMNA (0.53) LMNACYP11B1CYP11B2GAATP53
SCHEMBL2801168 0.81 LMNA (0.53) LMNACYP11B1CYP11B2GAATP53
SCHEMBL2801166 0.81 LMNA (0.53) LMNACYP11B1CYP11B2GAATP53
SCHEMBL7898824 0.81 LMNA (0.53) LMNACYP11B1CYP11B2GAATP53
SCHEMBL11156357 0.79 RAB9A (0.57) LMNACYP11B1CYP11B2GAATP53
SCHEMBL4685504 0.78 LMNA (0.54) LMNACYP11B1CYP11B2GAATP53
SCHEMBL4685507 0.78 LMNA (0.54) LMNACYP11B1CYP11B2GAATP53
SCHEMBL162151 0.77 LMNA (0.52) LMNACYP11B1CYP11B2GAATP53
SCHEMBL162150 0.77 LMNA (0.52) LMNACYP11B1CYP11B2GAATP53

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-1198456-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2007-09-19 EP disclosed