SCHEMBL923281

SCHEMBL923281

Nc1ccc(-c2ccnc(-c3cccc(-c4ccccn4)n3)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.56
LMNA P02545 5/20 0.56
L3MBTL1 Q9Y468 5/20 0.56
TP53 P04637 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
CCR1 P32246 3/20 0.56
CCR5 P51681 3/20 0.56
CCR8 P51685 3/20 0.56
TDP1 Q9NUW8 3/20 0.56
ALOX15 P16050 3/20 0.56
HTT P42858 2/20 0.56
ALPL P05186 1/20 0.56
HSP90AA1 P07900 1/20 0.56
ALPI P09923 1/20 0.56
ALPG P10696 1/20 0.56
MAPK1 P28482 1/20 0.56
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
CYP1A2 P05177 1/20 0.44
POLB P06746 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
SCHEMBL25085704 0.94 CCR1 (0.49) KDM4ELMNAL3MBTL1TP53SMN1; SMN2
SCHEMBL1399681 0.94 KDM4E (0.50) KDM4ELMNAL3MBTL1TP53SMN1; SMN2
SCHEMBL15024091 0.92 KDM4E (0.67) KDM4ELMNAL3MBTL1TP53SMN1; SMN2
SCHEMBL31635769 0.89 KDM4E (0.62) KDM4ELMNAL3MBTL1TP53SMN1; SMN2
SCHEMBL4367769 0.89 KDM4E (0.62) KDM4ELMNAL3MBTL1TP53SMN1; SMN2
SCHEMBL1991845 0.87 KDM4E (0.64) KDM4ELMNAL3MBTL1TP53SMN1; SMN2
SCHEMBL4343473 0.87 CCR1 (0.55) KDM4ELMNAL3MBTL1TP53SMN1; SMN2
SCHEMBL30732403 0.87 CCR1 (0.55) KDM4ELMNAL3MBTL1TP53SMN1; SMN2
SCHEMBL15959633 0.85 KDM4E (0.67) KDM4ELMNAL3MBTL1TP53SMN1; SMN2
SCHEMBL2768788 0.84 KDM4E (0.56) KDM4ELMNAL3MBTL1TP53SMN1; SMN2

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
US-20110006272-A1 Electrochromic films prepared by supramolecular self-assembly BASF SE (DE) 2011-01-13 US disclosed
WO-2010069797-A1 ELECTROCHROMIC FILMS PREPARED BY SUPRAMOLECULAR SELF-ASSEMBLY BASF SE (DE) 2010-06-24 WO disclosed