SCHEMBL17345709

SCHEMBL17345709

c1ccc(-c2ccc(-c3ccc(-c4cc(-c5ccccc5)n[nH]4)cc3)cc2)cc1

nearest known ligand 0.92

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.92
POLB P06746 1/20 0.92
HPGDS O60760 1/20 0.66
ALOX15 P16050 2/20 0.61
ADORA3 P0DMS8 1/20 0.61
MELK Q14680 1/20 0.60
MAPT P10636 3/20 0.59
MAPK1 P28482 3/20 0.59
NPC1 O15118 1/20 0.59
LMNA P02545 2/20 0.57
HPGD P15428 2/20 0.57
KDM4E B2RXH2 1/20 0.57
TP53 P04637 1/20 0.57
GLA P06280 1/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
COMT P21964 1/20 0.54
ALDH1A1 P00352 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
SCHEMBL19049229 1.00 RAB9A (0.92) RAB9APOLBHPGDSALOX15ADORA3
SCHEMBL17279797 1.00 RAB9A (0.92) RAB9APOLBHPGDSALOX15ADORA3
SCHEMBL17279801 0.98 RAB9A (0.96) RAB9APOLBHPGDSALOX15ADORA3
SCHEMBL1230353 0.96 RAB9A (1.00) RAB9APOLBHPGDSALOX15ADORA3
SCHEMBL17279911 0.92 RAB9A (0.78) RAB9APOLBHPGDSALOX15ADORA3
SCHEMBL20382093 0.90 RAB9A (0.88) RAB9APOLBHPGDSALOX15ADORA3
SCHEMBL17280251 0.89 RAB9A (0.87) RAB9APOLBHPGDSALOX15ADORA3
SCHEMBL25430210 0.89 RAB9A (0.79) RAB9APOLBHPGDSALOX15ADORA3
SCHEMBL6231163 0.89 RAB9A (0.79) RAB9APOLBHPGDSALOX15ADORA3
SCHEMBL3842147 0.89 RAB9A (0.79) RAB9APOLBHPGDSALOX15ADORA3

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-2015190789-A1 AN ORGANIC ELECTROLUMINESCENT COMPOUND AND AN ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2015-12-17 WO disclosed