SCHEMBL885091

SCHEMBL885091

O=C(NCc1ccccn1)c1cccc(-c2ccccc2)c1CC(c1cccnc1)c1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.62
HTT P42858 3/20 0.62
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 5/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
POLB P06746 2/20 0.47
HPGD P15428 1/20 0.47
KCNA5 P22460 6/20 0.46
KCNH2 Q12809 3/20 0.46
MAPK1 P28482 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 3/20 0.45
ADORA2A P29274 2/20 0.44
ADORA2B P29275 2/20 0.44
ADORA3 P0DMS8 1/20 0.44
TP53 P04637 1/20 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
SCHEMBL2063939 0.80 KCNA5 (0.63) LMNAHTTKMT2ARAB9ANPC1
SCHEMBL27680029 0.78 LMNA (1.00) LMNAHTTKMT2AALDH1A1RAB9A
SCHEMBL2063289 0.72 KCNA5 (0.63) ALDH1A1HPGDKCNA5KCNH2MAPK1
SCHEMBL884680 0.71 KCNA5 (0.61) KMT2ARAB9ANPC1KCNA5KCNH2
SCHEMBL29415439 0.70 NPC1 (0.63) LMNAHTTKMT2AALDH1A1RAB9A
SCHEMBL998521 0.70 NPC1 (0.63) LMNAHTTKMT2AALDH1A1RAB9A
SCHEMBL14082531 0.69 LMNA (0.80) LMNAHTTKMT2AALDH1A1RAB9A
SCHEMBL11829949 0.69 LMNA (0.72) LMNAHTTKMT2AALDH1A1RAB9A
SCHEMBL4969859 0.69 ALDH1A1 (0.59) LMNAHTTKMT2AALDH1A1RAB9A
SCHEMBL2063683 0.69 ALDH1A1 (0.45) ALDH1A1RAB9ANPC1KCNA5KCNH2

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
EP-1940406-A2 POTASSIUM CHANNEL INHIBITORS Merck and Co., Inc. (US) 2008-07-09 EP claimed
WO-2007050348-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-05-03 WO claimed