SCHEMBL21913009

SCHEMBL21913009

Cc1cccc(-c2cccc(-c3cc(-c4ccccc4)ccc3Nc3ccccc3)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.50
ALK Q9UM73 1/20 0.41
ENPP3 O14638 1/20 0.41
ADORA1 P30542 1/20 0.40
HDAC2 Q92769 1/20 0.40
PTGER4 P35408 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
GAA P10253 1/20 0.39
MCL1 Q07820 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
FYN P06241 1/20 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
SCHEMBL1931336 0.95 NPSR1 (0.53) NPSR1ALKENPP3ADORA1HDAC2
SCHEMBL17661366 0.94 NPSR1 (0.51) NPSR1ALKENPP3ADORA1HDAC2
SCHEMBL17660874 0.92 NPSR1 (0.47) NPSR1ALKENPP3HDAC2PTGER4
SCHEMBL21913809 0.91 NPSR1 (0.49) NPSR1ALKPTGER4L3MBTL1MAPT
SCHEMBL17454719 0.89 PTGER4 (0.43) NPSR1ALKPTGER4L3MBTL1MAPT
SCHEMBL17463569 0.88 PTGER4 (0.43) NPSR1ALKPTGER4L3MBTL1MAPT
SCHEMBL17661457 0.87 ALK (0.47) NPSR1ALKPTGER4L3MBTL1MAPT
SCHEMBL5202759 0.87 NPSR1 (0.41) NPSR1ALKENPP3ADORA1HDAC2
SCHEMBL18767461 0.84 NPSR1 (0.46) NPSR1L3MBTL1MAPTFLT1FLT4
SCHEMBL17246941 0.84 NPSR1 (0.56) NPSR1ADORA1L3MBTL1MAPTFLT1

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
EP-3640252-A1 4H-IMIDAZO[1,2-A]IMIDAZOLES FOR ELECTRONIC APPLICATIONS UDC Ireland Limited (IE) 2020-04-22 EP disclosed