SCHEMBL22617879

SCHEMBL22617879

c1ccc2c(c1)cc(-c1ccc3c(-c4ccc5ncncc5c4)cc4ccc5cc(-c6ccc7nccnc7c6)ccc5c4c3c1)c1cc(-c3ccc4ccc5cccnc5c4c3)c3ccccc3c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 2/20 0.40
PIK3CD O00329 2/20 0.40
PIK3CA P42336 2/20 0.40
LMNA P02545 1/20 0.35
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
TGFBR1 P36897 3/20 0.32
KDM4E B2RXH2 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP11B1 P15538 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
PIK3CB P42338 1/20 0.31
MTOR P42345 1/20 0.31
PIK3CG P48736 1/20 0.31
DYRK1A Q13627 1/20 0.30
EGFR P00533 1/20 0.30
MAPK9 P45984 1/20 0.30
MAPK10 P53779 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
SCHEMBL17691973 0.87 TDO2 (0.50) TDO2PIK3CDPIK3CANPC1POLB
SCHEMBL20698344 0.85 TDO2 (0.50) TDO2PIK3CDPIK3CALMNANPC1
SCHEMBL22617880 0.83 NPC1 (0.37) PIK3CANPC1POLBRAB9ATGFBR1
SCHEMBL17691976 0.80 TDO2 (0.57) TDO2PIK3CDPIK3CALMNANPC1
SCHEMBL17691970 0.78 NPC1 (0.40) TDO2PIK3CANPC1POLBRAB9A
SCHEMBL17691971 0.77 MAPT (0.47) PIK3CDLMNANPC1RAB9AKDM4E
SCHEMBL17691978 0.75 CYP3A4 (0.45) TDO2LMNANPC1POLBRAB9A
SCHEMBL17691974 0.74 NPC1 (0.58) PIK3CDPIK3CALMNANPC1POLB
SCHEMBL17231467 0.74 PIK3CA (0.57) TDO2PIK3CDPIK3CALMNANPC1
SCHEMBL17691972 0.74 CYP3A4 (0.40) TDO2PIK3CANPC1POLBRAB9A

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-10826000-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2020-11-03 US disclosed