SCHEMBL8563280

SCHEMBL8563280

CCN(CC)CCN(CCN(CC)CC)c1cccc(-c2nc3ccccc3n2C(CN(CC)CC)N(CCN(CC)CC)c2cccc(-c3nc4ccccc4n3C)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.39
ALDH1A1 P00352 5/20 0.39
HSD17B10 Q99714 5/20 0.39
MAPT P10636 5/20 0.39
NPC1 O15118 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ATM Q13315 3/20 0.39
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HCRTR1 O43613 1/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HBB P68871 1/20 0.39
TLR9 Q9NR96 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 5/20 0.38
RAB9A P51151 4/20 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
SCHEMBL7549909 0.87 ALDH1A1 (0.49) KDM4EALDH1A1HSD17B10MAPTNPC1
SCHEMBL7548733 0.75 MAPT (0.54) KDM4EALDH1A1HSD17B10MAPTNPC1
SCHEMBL7155256 0.75 ALDH1A1 (0.63) KDM4EALDH1A1HSD17B10MAPTNPC1
SCHEMBL7155399 0.75 NPC1 (0.60) KDM4EALDH1A1HSD17B10MAPTNPC1
SCHEMBL7153692 0.75 NPC1 (0.48) KDM4EALDH1A1HSD17B10MAPTNPC1
SCHEMBL7155417 0.74 HDAC1 (0.48) KDM4EALDH1A1HSD17B10MAPTKMT2A
SCHEMBL8406573 0.72
SCHEMBL8518780 0.72 NPC1 (0.44) KDM4EALDH1A1HSD17B10MAPTNPC1
SCHEMBL7153631 0.72 KDM4E (0.38) KDM4EALDH1A1HSD17B10MAPTNPC1
SCHEMBL7156596 0.72 BACE1 (0.38) KDM4EALDH1A1HSD17B10MAPTNPC1

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-0927167-A1 2-PHENYL BENZIMIDAZOLE DERIVATIVES AS MCP-1 ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1999-07-07 EP disclosed
WO-1998006703-A1 2-PHENYL BENZIMIDAZOLE DERIVATIVES AS MCP-1 ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-02-19 WO disclosed