SCHEMBL21702809

SCHEMBL21702809

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(N4c5ccccc5C5(c6ccccc64)c4ccccc4C4(c6ccccc6C6(c7ccccc7Oc7ccccc76)c6ccccc64)c4ccccc45)cc3)n2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PDE6D O43924 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
P2RX4 Q99571 1/20 0.31
EGLN1 Q9GZT9 2/20 0.30
FAAH O00519 1/20 0.30
MGLL Q99685 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
THPO P40225 1/20 0.30

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
SCHEMBL20347845 1.00 ADAMTS5 (0.33) ADAMTS5L3MBTL1PDE6DALDH1A1MEN1
SCHEMBL29892647 0.99 ADAMTS5 (0.33) ADAMTS5L3MBTL1PDE6DALDH1A1MEN1
SCHEMBL20347851 0.99 ADAMTS5 (0.33) ADAMTS5L3MBTL1PDE6DALDH1A1MEN1
SCHEMBL15030761 0.92 MEN1 (0.34) ADAMTS5PDE6DALDH1A1MEN1MAPT
SCHEMBL22065507 0.91 MEN1 (0.41) L3MBTL1ALDH1A1MEN1MAPTHPGD
SCHEMBL19977971 0.90 ADAMTS5 (0.33) ADAMTS5ALDH1A1MEN1MAPTHPGD
SCHEMBL21454026 0.89 L3MBTL1 (0.40) ADAMTS5L3MBTL1PDE6DALDH1A1MEN1
SCHEMBL16186673 0.89 MEN1 (0.35) L3MBTL1PDE6DALDH1A1MEN1MAPT
SCHEMBL15030880 0.88 MEN1 (0.35) ALDH1A1MEN1MAPTHPGDKMT2A
SCHEMBL16186676 0.87 MEN1 (0.38) PDE6DALDH1A1MEN1MAPTHPGD

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
US-20200052226-A1 Organic Light Emitting Diode and Organic Light Emitting Device Having the Same LG DISPLAY CO., LTD. (KR) 2020-02-13 US disclosed