SCHEMBL25870228

SCHEMBL25870228

c1ccc(-c2ccccc2N(c2ccc(-c3ccc4oc5ccc6ccccc6c5c4c3)cc2)c2ccc3c(ccc4ccccc43)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 4/20 0.37
▸ AHR P35869 2/20 0.37
▸ PAX8 Q06710 2/20 0.37
▸ CYP1A1 P04798 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ FYN P06241 1/20 0.37
▸ MAPK3 P27361 1/20 0.37
▸ MAPT P10636 3/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ HPGD P15428 3/20 0.35
▸ TSHR P16473 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ PLA2G2A P14555 1/20 0.34
▸ PLA2G4A P47712 1/20 0.34
▸ TDP1 Q9NUW8 3/20 0.33
▸ KMT2A Q03164 2/20 0.33

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
SCHEMBL25869088 0.95 TDP1 (0.36) ABCG2AHRPAX8CYP1A1CYP1A2
SCHEMBL25517877 0.95 PLA2G2A (0.36) ABCG2AHRPAX8CYP1A1CYP1A2
SCHEMBL27298288 0.95 ABCG2 (0.38) ABCG2AHRPAX8CYP1A1CYP1A2
SCHEMBL25518219 0.94 ABCG2 (0.40) ABCG2AHRPAX8CYP1A1CYP1A2
SCHEMBL25873219 0.93 ABCG2 (0.36) ABCG2AHRPAX8CYP1A1CYP1A2
SCHEMBL24655746 0.93 ABCG2 (0.36) ABCG2AHRPAX8CYP1A1CYP1A2
SCHEMBL20623241 0.93 KDM4E (0.38) ABCG2AHRPAX8CYP1A1CYP1A2
SCHEMBL25870127 0.92 ABCG2 (0.40) ABCG2AHRPAX8CYP1A1CYP1A2
SCHEMBL25516245 0.92 ABCG2 (0.40) ABCG2AHRPAX8CYP1A1CYP1A2
SCHEMBL24655761 0.92 TDP1 (0.36) ABCG2AHRPAX8CYP1A1CYP1A2

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
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