SCHEMBL15801821

SCHEMBL15801821

c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c5ccc6c(ccn6-c6ccccc6)c5ccc43)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.35
KDM4E B2RXH2 3/20 0.35
ATM Q13315 1/20 0.35
CYP19A1 P11511 4/20 0.33
CYP11B1 P15538 3/20 0.33
CYP17A1 P05093 2/20 0.33
MAPT P10636 3/20 0.33
MAPK1 P28482 3/20 0.33
NPSR1 Q6W5P4 3/20 0.33
HTT P42858 1/20 0.33
POLB P06746 2/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
MEN1 O00255 2/20 0.31
ALDH1A1 P00352 2/20 0.31
KMT2A Q03164 2/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL16357482 0.95 CYP19A1 (0.35) L3MBTL1KDM4EATMCYP19A1CYP11B1
SCHEMBL15801874 0.90 KDM4E (0.39) L3MBTL1KDM4EATMCYP19A1CYP11B1
SCHEMBL15632104 0.89 CYP19A1 (0.33) L3MBTL1KDM4EATMCYP19A1CYP11B1
SCHEMBL15801817 0.88 KDM4E (0.36) L3MBTL1KDM4EATMPOLBCTDSP1
SCHEMBL15802245 0.88 L3MBTL1 (0.36) L3MBTL1KDM4EATMCYP19A1CYP11B1
SCHEMBL15801930 0.88 KDM4E (0.38) L3MBTL1KDM4EATMCYP19A1CYP11B1
SCHEMBL15801838 0.88 KDM4E (0.38) L3MBTL1KDM4EATMCYP19A1CYP11B1
SCHEMBL15801824 0.88 KDM4E (0.35) L3MBTL1KDM4EATMCYP19A1CYP11B1
SCHEMBL15801819 0.87 KDM4E (0.38) L3MBTL1KDM4EATMCYP19A1CYP11B1
SCHEMBL15073463 0.87 L3MBTL1 (0.45) L3MBTL1KDM4EATMMAPTMAPK1

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-2014092354-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 두산 (KR) 2014-06-19 WO disclosed