SCHEMBL25975627

SCHEMBL25975627

c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)oc4cccc(-c6cc(-c7cccc8oc9ccccc9c78)nc(-c7ccccc7)n6)c45)cc3)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.34
MMP12 P39900 1/20 0.34
MMP13 P45452 1/20 0.34
PLA2G2A P14555 3/20 0.33
PLA2G4A P47712 3/20 0.33
ALDH1A1 P00352 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 3/20 0.33
HPGD P15428 3/20 0.33
NTSR1 P30989 1/20 0.33
KDM4E B2RXH2 3/20 0.32
POLB P06746 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
ATM Q13315 2/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
MAPK1 P28482 1/20 0.32
NFKB2 Q00653 1/20 0.32

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
SCHEMBL24255646 0.96 MEN1 (0.38) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL26416712 0.94 MEN1 (0.36) HCRTR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL25975775 0.92 MAPT (0.33) PLA2G2APLA2G4AALDH1A1MEN1KMT2A
SCHEMBL25975513 0.92 HCRTR1 (0.35) HCRTR1MMP12MMP13PLA2G2APLA2G4A
SCHEMBL26415625 0.91 MEN1 (0.36) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL24255725 0.91 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL26571969 0.90 MAPT (0.36) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL24255609 0.90 TSHR (0.32) HCRTR1MMP12MMP13ALDH1A1MEN1
SCHEMBL26415564 0.90 TSHR (0.32) HCRTR1MMP12MMP13ALDH1A1MEN1
SCHEMBL26415577 0.90 TSHR (0.32) HCRTR1MMP12MMP13ALDH1A1MEN1

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-2023149718-A1 ORGANIC LIGHT-EMITTING ELEMENT INCLUDING HETEROCYCLIC COMPOUND, COMPOSITION FOR ORGANIC MATERIAL LAYER OF ORGANIC LIGHT-EMITTING ELEMENT, AND METHOD FOR MANUFACTURING ORGANIC LIGHT-EMITTING ELEMENT 엘티소재주식회사 2023-08-10 WO disclosed