SCHEMBL20315499

SCHEMBL20315499

c1ccc(-c2cccc(-n3c4ccccc4c4c5c6c7ccccc7ccc6n(-c6nc(-c7ccccc7)nc(-c7ccc8c(c7)oc7ccccc78)n6)c5ccc43)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.32
MMP13 P45452 1/20 0.32
ABCG2 Q9UNQ0 2/20 0.31
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
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
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
SCHEMBL20315555 1.00 MMP12 (0.32) MMP12MMP13ABCG2CYP1A1CYP1A2
SCHEMBL20315497 1.00 MMP12 (0.32) MMP12MMP13ABCG2CYP1A1CYP1A2
SCHEMBL20315540 1.00 MMP12 (0.32) MMP12MMP13ABCG2CYP1A1CYP1A2
SCHEMBL20315550 0.95 SIRT2 (0.34) MMP12MMP13ABCG2CYP1A1CYP1A2
SCHEMBL20315511 0.95 SIRT2 (0.34) MMP12MMP13ABCG2CYP1A1CYP1A2
SCHEMBL20315784 0.95 MMP12 (0.34) MMP12MMP13ABCG2AHRL3MBTL1
SCHEMBL26413194 0.94 MMP12 (0.33) MMP12MMP13ABCG2AHRL3MBTL1
SCHEMBL20315477 0.94 SIRT2 (0.34) ABCG2CYP1A1CYP1A2FYNMAPK3
SCHEMBL20315537 0.94 SIRT2 (0.34) ABCG2CYP1A1CYP1A2FYNMAPK3
SCHEMBL20315553 0.94 ABCG2 (0.31) MMP12MMP13ABCG2CYP1A1CYP1A2

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-20180182970-A1 COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2018-06-28 US disclosed
US-20180182970-A1 COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2018-06-28 US disclosed