SCHEMBL25868762

SCHEMBL25868762

c1ccc(-c2ccccc2N(c2ccc3ccccc3c2)c2ccc3ccc4oc5ccccc5c4c3c2)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
▸ CYP1A2 P05177 2/20 0.37
▸ CYP1A1 P04798 1/20 0.37
▸ FYN P06241 1/20 0.37
▸ MAPK3 P27361 1/20 0.37
▸ PAX8 Q06710 1/20 0.37
▸ KDM4E B2RXH2 5/20 0.35
▸ MAPT P10636 4/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ HPGD P15428 3/20 0.35
▸ TSHR P16473 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ KMT2A Q03164 3/20 0.33
▸ GLA P06280 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
SCHEMBL25870215 0.94 ABCG2 (0.40) ABCG2AHRCYP1A2CYP1A1FYN
SCHEMBL26036593 0.93 PLA2G2A (0.36) ABCG2AHRCYP1A2CYP1A1FYN
SCHEMBL25868664 0.93 ABCG2 (0.34) ABCG2AHRCYP1A2CYP1A1FYN
SCHEMBL25869077 0.93 TDP1 (0.37) ABCG2AHRCYP1A2CYP1A1FYN
SCHEMBL24655648 0.92 TDP1 (0.38) ABCG2AHRCYP1A2CYP1A1FYN
SCHEMBL24655461 0.92 TDP1 (0.38) ABCG2AHRCYP1A2CYP1A1FYN
SCHEMBL25516247 0.92 ABCG2 (0.35) ABCG2AHRCYP1A2CYP1A1FYN
SCHEMBL25868672 0.92 ABCG2 (0.35) ABCG2AHRCYP1A2CYP1A1FYN
SCHEMBL25868459 0.92 ABCG2 (0.35) ABCG2AHRCYP1A2CYP1A1FYN
SCHEMBL25868661 0.91 ABCG2 (0.36) ABCG2AHRCYP1A2CYP1A1FYN

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
Send feedback