SCHEMBL25870598

SCHEMBL25870598

c1ccc(-c2cccc(N(c3ccc4c(c3)sc3ccccc34)c3ccc4ccc5oc6ccccc6c5c4c3)c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 3/20 0.33
CYP1A2 P05177 2/20 0.33
ABCG2 Q9UNQ0 2/20 0.33
FYN P06241 1/20 0.33
MAPK3 P27361 1/20 0.33
AHR P35869 1/20 0.33
PAX8 Q06710 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1B1 Q16678 2/20 0.32
PLA2G2A P14555 3/20 0.32
PLA2G4A P47712 3/20 0.32
PLA2G10 O15496 1/20 0.31
CDK4 P11802 1/20 0.31
CCND1 P24385 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
SCHEMBL25870601 0.96 PLA2G2A (0.36) CYP1A1CYP1A2ABCG2FYNMAPK3
SCHEMBL26853011 0.94 CYP1A1 (0.32) CYP1A1CYP1A2ABCG2FYNMAPK3
SCHEMBL25871500 0.94 CYP1A1 (0.33) CYP1A1CYP1A2ABCG2FYNMAPK3
SCHEMBL25516182 0.93 MAPT (0.34) CYP1A1CYP1A2ABCG2FYNMAPK3
SCHEMBL25870303 0.92 PLA2G2A (0.38) CYP1A1CYP1A2ABCG2FYNMAPK3
SCHEMBL25517707 0.92 PLA2G2A (0.35) CYP1A1CYP1A2ABCG2FYNMAPK3
SCHEMBL23511955 0.92 CYP1A1 (0.32) CYP1A1CYP1A2ABCG2FYNMAPK3
SCHEMBL25871504 0.92 PGR (0.34) CYP1A1CYP1A2ABCG2FYNMAPK3
SCHEMBL25873222 0.91 CYP1A1 (0.38) CYP1A1CYP1A2ABCG2FYNMAPK3
SCHEMBL25870848 0.91 MAPT (0.39) CYP1A1CYP1A2ABCG2FYNMAPK3

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