SCHEMBL15909668

SCHEMBL15909668

CC1(C)c2cc(-c3ccc4ccccc4c3)cc3ccc4cc(-c5ccc(N(c6cc(-c7cccnc7)cc(-c7cccnc7)c6)c6cccc7ccccc67)c6ccccc56)cc1c4c23

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 13/20 0.43
CYP11B1 P15538 13/20 0.43
CYP19A1 P11511 7/20 0.43
CYP17A1 P05093 6/20 0.43
SIRT2 Q8IXJ6 1/20 0.36
PDK2 Q15119 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PGR P06401 1/20 0.33
CYP2A6 P11509 1/20 0.32
CYP3A4 P08684 1/20 0.32
DAPK3 O43293 1/20 0.32
DYRK3 O43781 1/20 0.32
ROCK2 O75116 1/20 0.32
RPS6KA5 O75582 1/20 0.32
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 1/20 0.32
PAK4 O96013 1/20 0.32
CHEK2 O96017 1/20 0.32
PRKCG P05129 1/20 0.32

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
SCHEMBL15909815 0.91 CYP11B2 (0.50) CYP11B2CYP11B1CYP19A1CYP17A1SIRT2
SCHEMBL15909633 0.88 CYP11B2 (0.42) CYP11B2CYP11B1CYP19A1CYP17A1SIRT2
SCHEMBL15909630 0.86 CYP11B1 (0.39) CYP11B2CYP11B1CYP19A1CYP17A1PDK2
SCHEMBL15316874 0.84 CYP19A1 (0.39) CYP11B2CYP11B1CYP19A1CYP17A1NPC1
SCHEMBL17849674 0.80 CYP11B1 (0.40) CYP11B2CYP11B1CYP19A1CYP17A1PDK2
SCHEMBL15909786 0.80 CYP11B1 (0.49) CYP11B2CYP11B1CYP19A1CYP17A1NPC1
SCHEMBL15909805 0.79 CYP11B1 (0.47) CYP11B2CYP11B1CYP19A1CYP17A1NPC1
SCHEMBL15909776 0.78 CYP11B1 (0.46) CYP11B2CYP11B1CYP19A1CYP17A1NPC1
SCHEMBL15909764 0.78 CYP11B1 (0.46) CYP11B2CYP11B1CYP19A1CYP17A1NPC1
SCHEMBL15909768 0.78 CYP19A1 (0.45) CYP11B2CYP11B1CYP19A1CYP17A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140209872-A1 COMPOUND, ORGANIC LIGHT EMITTING DEVICE INCLUDING THE COMPOUND, AND FLAT DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2014-07-31 US disclosed
US-20140209872-A1 COMPOUND, ORGANIC LIGHT EMITTING DEVICE INCLUDING THE COMPOUND, AND FLAT DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2014-07-31 US disclosed