SCHEMBL4108759

SCHEMBL4108759

COc1ccc(CCN2C(=O)NCC2(NCc2ccncc2)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
ALDH1A1 P00352 6/20 0.39
MEN1 O00255 1/20 0.39
EPHX2 P34913 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KCNA5 P22460 2/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.38
RIPK3 Q9Y572 1/20 0.38
FLT1 P17948 2/20 0.36
KDR P35968 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
NAMPT P43490 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL4102234 0.92 NPC1 (0.42) NPC1ALDH1A1MEN1EPHX2RAB9A
SCHEMBL3925887 0.86 KCNA5 (0.52) NPC1ALDH1A1MEN1RAB9AKMT2A
SCHEMBL3917734 0.82 KCNA5 (0.41) NPC1MEN1EPHX2RAB9AKMT2A
SCHEMBL4131059 0.82 NPC1 (0.44) NPC1ALDH1A1MEN1EPHX2RAB9A
SCHEMBL3919268 0.82 KCNA5 (0.41) NPC1ALDH1A1MEN1RAB9AKMT2A
SCHEMBL4105235 0.80 KCNA5 (0.39) NPC1MEN1EPHX2RAB9AKMT2A
SCHEMBL4118325 0.80 KCNA5 (0.42) NPC1MEN1EPHX2RAB9AKMT2A
SCHEMBL3925318 0.79 SMN1; SMN2 (0.43) NPC1ALDH1A1MEN1RAB9AKMT2A
SCHEMBL4113537 0.79 KCNA5 (0.38) NPC1MEN1EPHX2RAB9AKMT2A
SCHEMBL3915648 0.78 KCNA5 (0.53) NPC1ALDH1A1MEN1RAB9AKMT2A

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-2035392-A1 IMIDAZOLE KV1. 5 POTASSIUM CHANNEL INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2009-03-18 EP disclosed
WO-2007149874-A1 IMIDAZOLIDINONE KV1.5 POTASSIUM CHANNEL INHIBITORS WYETH (US) 2007-12-27 WO disclosed