SCHEMBL15909805

SCHEMBL15909805

c1cncc(-c2cc(-c3cccnc3)cc(N(c3ccc(-c4cc5ccc6cc(-c7cccnc7)cc7ccc(c4)c5c67)cc3)c3cccc4ccccc34)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 7/20 0.47
CYP11B2 P19099 6/20 0.47
CYP19A1 P11511 5/20 0.47
CYP17A1 P05093 3/20 0.47
CYP2A6 P11509 1/20 0.41
KDM4E B2RXH2 6/20 0.39
RAB9A P51151 5/20 0.39
NPC1 O15118 4/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 4/20 0.39
HPGD P15428 3/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
PGR P06401 1/20 0.39
FGFR1 P11362 1/20 0.37
DHODH Q02127 1/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL15909776 0.99 CYP11B1 (0.46) CYP11B1CYP11B2CYP19A1CYP17A1CYP2A6
SCHEMBL15909764 0.99 CYP11B1 (0.46) CYP11B1CYP11B2CYP19A1CYP17A1CYP2A6
SCHEMBL15909768 0.94 CYP19A1 (0.45) CYP11B1CYP11B2CYP19A1CYP17A1CYP2A6
SCHEMBL15909786 0.94 CYP11B1 (0.49) CYP11B1CYP11B2CYP19A1CYP17A1CYP2A6
SCHEMBL15909746 0.92 CYP11B1 (0.43) CYP11B1CYP11B2CYP19A1CYP17A1CYP2A6
SCHEMBL15909630 0.88 CYP11B1 (0.39) CYP11B1CYP11B2CYP19A1CYP17A1CYP2A6
SCHEMBL15909774 0.86 CYP11B2 (0.48) CYP11B1CYP11B2CYP19A1CYP17A1CYP2A6
SCHEMBL15909815 0.85 CYP11B2 (0.50) CYP11B1CYP11B2CYP19A1CYP17A1CYP2A6
SCHEMBL15178589 0.85 KDM4E (0.41) CYP11B1CYP11B2CYP19A1CYP17A1CYP2A6
SCHEMBL15681725 0.84 CYP11B1 (0.38) CYP11B1CYP11B2CYP19A1CYP17A1CYP2A6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9997713-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2018-06-12 US disclosed
US-9997713-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2018-06-12 US disclosed
US-20140209875-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2014-07-31 US disclosed
US-20140209875-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2014-07-31 US disclosed