SCHEMBL22901166

SCHEMBL22901166

c1ccc(C2=NC(c3cccc(-c4ccc5c(ccc6oc7ccccc7c65)c4)c3)NC(c3ccc(-c4ccccc4)cc3)N2)cc1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 3/20 0.33
▸ PLA2G4A P47712 3/20 0.33
▸ PLA2G10 O15496 1/20 0.32
▸ CYP1A1 P04798 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ FYN P06241 1/20 0.31
▸ MAPK3 P27361 1/20 0.31
▸ AHR P35869 1/20 0.31
▸ PAX8 Q06710 1/20 0.31
▸ ABCG2 Q9UNQ0 1/20 0.31
▸ PGR P06401 1/20 0.31
▸ CASP3 P42574 1/20 0.30
▸ SENP7 Q9BQF6 1/20 0.30
▸ SENP6 Q9GZR1 1/20 0.30
▸ HCRTR1 O43613 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
SCHEMBL26570237 0.86 P2RX7 (0.30) —
SCHEMBL22762512 0.85 ABCG2 (0.32) CYP1A1CYP1A2FYNMAPK3AHR
SCHEMBL24890301 0.84 ALDH1A1 (0.32) —
SCHEMBL27382290 0.84 P2RX7 (0.33) CYP1A1CYP1A2
SCHEMBL24890270 0.84 ALDH1A1 (0.31) —
SCHEMBL24889122 0.83 CASP3 (0.31) PLA2G2APLA2G4APLA2G10CYP1A1CYP1A2
SCHEMBL24907520 0.83 KDM4E (0.32) PLA2G2APLA2G4ACYP1A1CYP1A2FYN
SCHEMBL24886834 0.83 ALDH1A1 (0.32) —
SCHEMBL24357377 0.83 HCRTR1 (0.31) HCRTR1
SCHEMBL24907724 0.83 HCRTR1 (0.31) HCRTR1

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-20210020849-A1 PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2021-01-21 — — US disclosed
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