SCHEMBL20068622

SCHEMBL20068622

c1ccc2c(c1)ccc1ccc(-c3nc(-n4c5ccccc5c5cc6cc7c8cccc9c%10ccccc%10n(c7cc6cc54)c98)c4oc5ccccc5c4n3)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.39
MAPT P10636 6/20 0.36
LMNA P02545 5/20 0.36
KDM4E B2RXH2 4/20 0.36
HSD17B10 Q99714 4/20 0.36
MAPK1 P28482 2/20 0.36
ALDH1A1 P00352 7/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 3/20 0.32
NPSR1 Q6W5P4 3/20 0.32
HRH4 Q9H3N8 3/20 0.32
POLB P06746 2/20 0.31
PIK3C2B O00750 2/20 0.31
PIK3CA P42336 2/20 0.31
PIK3CB P42338 2/20 0.31
PIK3CG P48736 2/20 0.31
PIK3CD O00329 1/20 0.31
PIK3C2A O00443 1/20 0.31
CHUK O15111 1/20 0.31

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
SCHEMBL21736071 0.91 TSHR (0.43) TSHRMAPTLMNAKDM4EHSD17B10
SCHEMBL21736032 0.85 TSHR (0.45) TSHRMAPTLMNAKDM4EHSD17B10
SCHEMBL21736122 0.84 TSHR (0.44) TSHRMAPTLMNAKDM4EHSD17B10
SCHEMBL20669998 0.84 TSHR (0.44) TSHRMAPTLMNAKDM4EHSD17B10
SCHEMBL19161326 0.81 TSHR (0.38) TSHRMAPTLMNAKDM4EHSD17B10
SCHEMBL19161412 0.81 TSHR (0.38) TSHRMAPTLMNAKDM4EHSD17B10
SCHEMBL21736454 0.81 TSHR (0.44) TSHRMAPTLMNAKDM4EHSD17B10
SCHEMBL21736023 0.81 TSHR (0.44) TSHRMAPTLMNAKDM4EHSD17B10
SCHEMBL20669837 0.81 TSHR (0.48) TSHRMAPTLMNAKDM4EHSD17B10
SCHEMBL21736070 0.81 TSHR (0.53) TSHRMAPTLMNAKDM4EHSD17B10

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-2018070824-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2018-04-19 WO disclosed