SCHEMBL17206567

SCHEMBL17206567

CC1(C)c2ccccc2N(c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c2ccc(-c3ccccc3)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
FAAH O00519 1/20 0.38
HSP90AA1 P07900 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.38
MGLL Q99685 1/20 0.38
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 3/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 2/20 0.35
GLA P06280 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GRM5 P41594 2/20 0.33
NTSR1 P30989 1/20 0.33
TSHR P16473 2/20 0.32
MAPK1 P28482 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
SCHEMBL20230686 0.98 ADAMTS5 (0.36) ALDH1A1FAAHHSP90AA1PKMHTT
SCHEMBL17206574 0.95 MEN1 (0.35) ALDH1A1HTTMEN1KMT2AMAPT
SCHEMBL20230688 0.94 MEN1 (0.36) ALDH1A1FAAHMGLLMEN1KMT2A
SCHEMBL13833099 0.94 MEN1 (0.36) ALDH1A1HTTMEN1KMT2AMAPT
SCHEMBL13833106 0.94 MEN1 (0.36) ALDH1A1HTTMEN1KMT2AMAPT
SCHEMBL13833109 0.94 MEN1 (0.38) ALDH1A1HTTMEN1KMT2AMAPT
SCHEMBL20230674 0.94 MEN1 (0.38) ALDH1A1HTTMEN1KMT2AMAPT
SCHEMBL20230665 0.93 MEN1 (0.35) ALDH1A1FAAHHSP90AA1PKMHTT
SCHEMBL22969907 0.92 ALDH1A1 (0.38) ALDH1A1FAAHHSP90AA1PKMHTT
SCHEMBL13832995 0.92 L3MBTL1 (0.39) ALDH1A1FAAHHSP90AA1PKMHTT

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-9172046-B1 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2015-10-27 US disclosed
US-9172046-B1 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2015-10-27 US disclosed