SCHEMBL13068076

SCHEMBL13068076

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(C4Nc5ccccc5S4)cc3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.42
RAB9A P51151 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 2/20 0.36
HSD17B10 Q99714 3/20 0.35
MECP2 P51608 2/20 0.35
MBD2 Q9UBB5 2/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 2/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
LMNA P02545 2/20 0.33

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
SCHEMBL21399154 0.88 ADK (0.40) IDO1RAB9AMEN1KMT2AALDH1A1
SCHEMBL23099280 0.85 BRD4 (0.33) IDO1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL23099279 0.83 RAB9A (0.33) IDO1RAB9A
SCHEMBL434104 0.83 IDO1 (0.53) IDO1RAB9AMEN1KMT2AALDH1A1
SCHEMBL21152159 0.81 RAB9A (0.39) IDO1RAB9AMEN1KMT2AALDH1A1
SCHEMBL18308513 0.81 IDO1 (0.42) IDO1RAB9AMEN1KMT2AALDH1A1
SCHEMBL19310465 0.80 IDO1 (0.41) IDO1RAB9AMEN1KMT2AALDH1A1
SCHEMBL18646827 0.78 IDO1 (0.44) IDO1RAB9AMEN1KMT2AALDH1A1
SCHEMBL19369688 0.77 IDO1 (0.52) IDO1RAB9AMEN1KMT2AALDH1A1
SCHEMBL11756212 0.77 IDO1 (0.47) IDO1RAB9AL3MBTL1MEN1KMT2A

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
WO-2010126270-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME DOW ADVANCED DISPLAY MATERIALS,LTD. (KR) 2010-11-04 WO disclosed