SCHEMBL27364055

SCHEMBL27364055

c1ccc(-c2nc(-c3ccccc3)c3c(n2)oc2ccc(-c4ccc(-n5c6ccccc6c6c7ccccc7ccc65)c5c4oc4ccccc45)cc23)cc1

nearest known ligand 0.30

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.30
CYP1A2 P05177 1/20 0.30
FYN P06241 1/20 0.30
MAPK3 P27361 1/20 0.30
AHR P35869 1/20 0.30
PAX8 Q06710 1/20 0.30
ABCG2 Q9UNQ0 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
SCHEMBL27364056 0.94
SCHEMBL27363924 0.93 CYP1A1 (0.30) CYP1A1CYP1A2FYNMAPK3AHR
SCHEMBL27363904 0.93 CYP1A1 (0.30) CYP1A1CYP1A2FYNMAPK3AHR
SCHEMBL27364112 0.90
SCHEMBL27364109 0.89 MEN1 (0.31)
SCHEMBL27364155 0.88
SCHEMBL27364084 0.88
SCHEMBL27364058 0.85 PRKDC (0.30)
SCHEMBL27364114 0.85 PRKDC (0.33)
SCHEMBL27363951 0.84 ALDH1A1 (0.35) CYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240215277-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2024-06-27 US disclosed
US-20240215277-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2024-06-27 US disclosed