SCHEMBL19152007

SCHEMBL19152007

CC1(C)c2ccccc2-c2ccc(-c3ccc4oc5cc(Br)ccc5c4c3)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.35
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
ALK Q9UM73 1/20 0.34
GABRP O00591 3/20 0.33
GABRD O14764 3/20 0.33
GABRA1 P14867 3/20 0.33
GABRB1 P18505 3/20 0.33
GABRG2 P18507 3/20 0.33
GABRB3 P28472 3/20 0.33
GABRA5 P31644 3/20 0.33
GABRA3 P34903 3/20 0.33
GABRA2 P47869 3/20 0.33
GABRB2 P47870 3/20 0.33
GABRA4 P48169 3/20 0.33
GABRE P78334 3/20 0.33
GABRA6 Q16445 3/20 0.33
GABRG1 Q8N1C3 3/20 0.33
GABRG3 Q99928 3/20 0.33
GABRQ Q9UN88 3/20 0.33

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
SCHEMBL24362843 0.94 GABRP (0.38) PDK2HSP90AA1HSP90AB1GABRPGABRD
SCHEMBL3041392 0.89 TNKS (0.39) PDK2HSP90AA1HSP90AB1ALKGABRP
SCHEMBL1637406 0.88 PDK2 (0.37) PDK2HSP90AA1HSP90AB1PGRMAOA
SCHEMBL16017881 0.88 PDK2 (0.38) PDK2HSP90AA1HSP90AB1MAPTKDM4E
SCHEMBL18086158 0.87 HSP90AA1 (0.43) PDK2HSP90AA1HSP90AB1ALKPGR
SCHEMBL16017880 0.87 HSP90AA1 (0.43) PDK2HSP90AA1HSP90AB1ALKPGR
SCHEMBL22058506 0.87 PDK2 (0.36) PDK2ALKGABRPGABRDGABRA1
SCHEMBL1635693 0.87 MAOA (0.38) PDK2HSP90AA1HSP90AB1PGRMAOA
SCHEMBL25052955 0.86 HSP90AA1 (0.39) PDK2HSP90AA1HSP90AB1PGRMAOA
SCHEMBL25052976 0.86 HSP90AA1 (0.36) PDK2HSP90AA1HSP90AB1PGRMAOA

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-2017123008-A1 ORGANIC LIGHT-EMITTING DEVICE, ORGANIC LIGHT-EMITTING DISPLAY DEVICE, AND COMPOUND FOR ORGANIC LIGHT-EMITTING DEVICE 덕산네오룩스 주식회사 2017-07-20 WO disclosed