SCHEMBL25873444

SCHEMBL25873444

c1ccc2c(c1)ccc1oc3ccc(-c4ccc(N(c5ccc6sc7ccccc7c6c5)c5ccc6sc7ccccc7c6c5)cc4)cc3c12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 6/20 0.34
TDP1 Q9NUW8 3/20 0.34
PAX8 Q06710 2/20 0.34
NPC1 O15118 2/20 0.34
CYP1A1 P04798 1/20 0.34
CYP1A2 P05177 1/20 0.34
FYN P06241 1/20 0.34
MAPK3 P27361 1/20 0.34
AHR P35869 1/20 0.34
RAB9A P51151 1/20 0.34
APP P05067 1/20 0.32
GPR3 P46089 1/20 0.32
NQO1 P15559 1/20 0.32
NQO2 P16083 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PLA2G2A P14555 1/20 0.31
PLA2G4A P47712 1/20 0.31
CASP3 P42574 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 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
SCHEMBL25517591 0.98 ABCG2 (0.35) ABCG2TDP1PAX8NPC1CYP1A1
SCHEMBL25515927 0.95 ABCG2 (0.39) ABCG2TDP1PAX8NPC1CYP1A1
SCHEMBL18164719 0.94 PAX8 (0.33) ABCG2TDP1PAX8NPC1CYP1A1
SCHEMBL26036965 0.93 PLA2G2A (0.33) ABCG2TDP1APPGPR3L3MBTL1
SCHEMBL17383035 0.93 ABCG2 (0.36) ABCG2TDP1PAX8NPC1CYP1A1
SCHEMBL25873365 0.92 TDP1 (0.34) ABCG2TDP1PAX8NPC1CYP1A1
SCHEMBL17382926 0.92 ABCG2 (0.37) ABCG2TDP1PAX8NPC1CYP1A1
SCHEMBL25517709 0.92 ABCG2 (0.36) ABCG2TDP1PAX8NPC1CYP1A1
SCHEMBL19152396 0.92 ABCG2 (0.38) ABCG2TDP1PAX8NPC1CYP1A1
SCHEMBL24655724 0.91 ABCG2 (0.32) ABCG2TDP1PAX8NPC1CYP1A1

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-2023132694-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-07-13 WO disclosed