SCHEMBL9952329

SCHEMBL9952329

c1ccc(-c2ccccc2-c2cccc(-c3ccccn3)n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.67
KDM4E B2RXH2 5/20 0.67
LMNA P02545 5/20 0.67
TP53 P04637 5/20 0.67
CCR1 P32246 3/20 0.67
CCR5 P51681 3/20 0.67
CCR8 P51685 3/20 0.67
ALOX15 P16050 2/20 0.67
HTT P42858 2/20 0.67
TDP1 Q9NUW8 2/20 0.67
L3MBTL1 Q9Y468 2/20 0.67
ALPL P05186 1/20 0.67
HSP90AA1 P07900 1/20 0.67
ALPI P09923 1/20 0.67
ALPG P10696 1/20 0.67
MAPK1 P28482 1/20 0.67
CYP1A2 P05177 1/20 0.52
POLB P06746 1/20 0.52
METAP1 P53582 1/20 0.52
BLM P54132 1/20 0.52

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
SCHEMBL12925575 0.89 KDM4E (0.67) SMN1; SMN2KDM4ELMNATP53CCR1
SCHEMBL12999271 0.87 KDM4E (0.64) SMN1; SMN2KDM4ELMNATP53CCR1
SCHEMBL12925811 0.87 KDM4E (0.64) SMN1; SMN2KDM4ELMNATP53CCR1
SCHEMBL12999304 0.87 KDM4E (0.64) SMN1; SMN2KDM4ELMNATP53CCR1
SCHEMBL15453403 0.87 KDM4E (0.69) SMN1; SMN2KDM4ELMNATP53CCR1
SCHEMBL13154456 0.86 KDM4E (0.58) SMN1; SMN2KDM4ELMNATP53CCR1
SCHEMBL28057386 0.86 CCR1 (0.58) SMN1; SMN2KDM4ELMNATP53CCR1
SCHEMBL3364759 0.86 KDM4E (0.56) SMN1; SMN2KDM4ELMNATP53CCR1
SCHEMBL3630660 0.86 MEN1 (0.64) SMN1; SMN2KDM4ELMNATP53CCR1
SCHEMBL14297301 0.86 KDM4E (0.62) SMN1; SMN2KDM4ELMNATP53CCR1

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
US-20120161107-A1 ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO, LTD (JP) 2012-06-28 US disclosed