SCHEMBL22800804

SCHEMBL22800804

c1ccc(-c2cccc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-n4c5cc(-c6ccccc6)ccc5c5ccc(N(c6ccccc6)c6ccc(-c7ccc8ccccc8c7)cc6)cc54)n3)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.34
MMP12 P39900 1/20 0.32
MMP13 P45452 1/20 0.32
PLA2G2A P14555 1/20 0.31
PLA2G4A P47712 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
SIRT2 Q8IXJ6 1/20 0.30
ANO1 Q5XXA6 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
SCHEMBL22800812 0.97 HCRTR1 (0.34) HCRTR1MMP12MMP13KDM4EMEN1
SCHEMBL22800791 0.95 KDM4E (0.33) HCRTR1MMP12MMP13KDM4EMEN1
SCHEMBL22802113 0.94 KDM4E (0.33) HCRTR1KDM4EMEN1ALDH1A1TP53
SCHEMBL22802122 0.92 HCRTR1 (0.35) HCRTR1MMP12MMP13PLA2G2APLA2G4A
SCHEMBL22802121 0.92 HCRTR1 (0.35) HCRTR1MMP12MMP13PLA2G2APLA2G4A
SCHEMBL22800799 0.92 KDM4E (0.33) HCRTR1PLA2G2APLA2G4AKDM4EMEN1
SCHEMBL22802114 0.90 HCRTR1 (0.33) HCRTR1MMP12MMP13PLA2G2APLA2G4A
SCHEMBL22802258 0.90 HCRTR1 (0.33) HCRTR1MMP12MMP13PLA2G2APLA2G4A
SCHEMBL22802120 0.89 HCRTR1 (0.33) HCRTR1MMP12MMP13PLA2G2APLA2G4A
SCHEMBL24596541 0.87 PIN1 (0.34)

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-11569455-B2 Compound for organic optoelectronic device, organic optoelectronic device, and display device SAMSUNG SDI CO., LTD. (KR) 2023-01-31 US disclosed
US-20200395551-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2020-12-17 US disclosed