SCHEMBL15423209

SCHEMBL15423209

CC1(C)c2cc(-c3cc(F)cc(F)c3)cc3ccc4cc(-c5cc(-c6ccncc6)cc(-c6ccncc6)c5)cc1c4c23

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 5/20 0.44
CYP21A2 P08686 5/20 0.44
CYP11B1 P15538 5/20 0.44
MAPK14 Q16539 1/20 0.34
PGR P06401 2/20 0.33
GRM5 P41594 1/20 0.33
ROCK2 O75116 2/20 0.33
ROCK1 Q13464 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
CDC7 O00311 1/20 0.32
MAP4K4 O95819 1/20 0.32
PIM1 P11309 1/20 0.32
PRKACA P17612 1/20 0.32
CDK2 P24941 1/20 0.32
GSK3B P49841 1/20 0.32
HIPK2 Q9H2X6 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
IRAK4 Q9NWZ3 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
SCHEMBL15423167 0.85 NOTUM (0.47) CYP11B1MAPK14LMNAMAPTCDC7
SCHEMBL15423181 0.82 NOTUM (0.44) CYP11B1MAPK14LMNAMAPTGSK3B
SCHEMBL15423171 0.79 TGFBR1 (0.42) GRM5LMNAMAPTPDGFRBPDGFRA
SCHEMBL15423202 0.76 CYP11B1 (0.43) CYP11B1MAPK14LMNAMAPTPDGFRB
SCHEMBL15603724 0.75 CYP17A1 (0.43) CYP17A1CYP21A2CYP11B1MAPK14PGR
SCHEMBL15423213 0.72 AVPR1A (0.43) LMNAKDM4E
SCHEMBL15423166 0.71 CYP19A1 (0.55) CYP17A1CYP11B1MKNK2GRM2KDM4E
SCHEMBL15423191 0.70 NPC1 (0.45) ROCK1MAP4K4CLK4PDGFRBPDGFRA
SCHEMBL15423161 0.70 TGFBR1 (0.41) LMNAMAPTIRAK4PDGFRBPDGFRA
SCHEMBL13907287 0.69 PDK2 (0.49) ROCK2LMNAMAPTCDC7MAP4K4

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-9559310-B2 Compound with electron injection and/or electron transport capabilities and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-01-31 US disclosed
US-9559310-B2 Compound with electron injection and/or electron transport capabilities and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-01-31 US disclosed
US-20140014925-A1 NOVEL COMPOUND WITH ELECTRON INJECTION AND/OR ELECTRON TRANSPORT CAPABILITIES AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-01-16 US disclosed
US-20140014925-A1 NOVEL COMPOUND WITH ELECTRON INJECTION AND/OR ELECTRON TRANSPORT CAPABILITIES AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-01-16 US disclosed