Bathocuproine

Bathocuproine

SCHEMBL2346807

Cc1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(C)nc3c2n1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.44
CCR1 P32246 3/20 0.41
CCR8 P51685 3/20 0.41
CCR5 P51681 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CRHR1 P34998 1/20 0.41
MAP4K4 O95819 2/20 0.41
IGF1R P08069 2/20 0.41
LTK P29376 2/20 0.41
KDR P35968 2/20 0.41
MAP2K2 P36507 2/20 0.41
MAPK8 P45983 2/20 0.41
CLK2 P49760 2/20 0.41
CDK7 P50613 2/20 0.41
CDK9 P50750 2/20 0.41
CDK5 Q00535 2/20 0.41
MAP2K1 Q02750 2/20 0.41
ACVR1 Q04771 2/20 0.41
PTK2 Q05397 2/20 0.41
NTRK3 Q16288 2/20 0.41

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
SCHEMBL725339 1.00 TOP2A (0.44) TOP2ACCR1CCR8CCR5L3MBTL1
SCHEMBL19452852 0.94 NR1H2 (0.42) TOP2ACCR1CCR8CCR5L3MBTL1
Bathocuproine SCHEMBL29351092 0.88 CRHR1 (0.48) L3MBTL1CRHR1KDM4EALDH1A1CYP1A2
Bathocuproine SCHEMBL20526077 0.88 CRHR1 (0.48) L3MBTL1CRHR1KDM4EALDH1A1CYP1A2
Bathocuproine SCHEMBL29356702 0.88 CRHR1 (0.48) L3MBTL1CRHR1KDM4EALDH1A1CYP1A2
Bathocuproine SCHEMBL36914 0.88 CRHR1 (0.48) L3MBTL1CRHR1KDM4EALDH1A1CYP1A2
Bathocuproine SCHEMBL5398100 0.87 CRHR1 (0.47) L3MBTL1CRHR1KDM4EALDH1A1CYP1A2
Bathocuproine SCHEMBL38659029 0.87 CRHR1 (0.47) L3MBTL1CRHR1KDM4EALDH1A1CYP1A2
Bathocuproine SCHEMBL28523242 0.87 CRHR1 (0.47) L3MBTL1CRHR1KDM4EALDH1A1CYP1A2
Bathocuproine SCHEMBL29080447 0.87 CRHR1 (0.47) L3MBTL1CRHR1KDM4EALDH1A1CYP1A2

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-2361444-A1 MATERIALS Lomox Limited (GB) 2011-08-31 EP disclosed
WO-2009103952-A1 MATERIALS LOMOX LIMITED (GB) 2009-08-27 WO disclosed