SCHEMBL25965855

SCHEMBL25965855

c1ccc(-c2cccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccc8c(c7)oc7ccccc78)nc(-n7c8ccccc8c8ccccc87)n6)c5c43)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.34
MMP13 P45452 1/20 0.34
HCRTR1 O43613 1/20 0.33
ATM Q13315 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PLA2G2A P14555 2/20 0.32
PLA2G4A P47712 2/20 0.32
AHR P35869 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
GAA P10253 1/20 0.31
PDE10A Q9Y233 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
PTGER4 P35408 1/20 0.31
PRKDC P78527 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
SCHEMBL25964936 0.97 MMP12 (0.33) MMP12MMP13HCRTR1ATMNPC1
SCHEMBL24065209 0.96 MMP12 (0.34) MMP12MMP13HCRTR1ATMNPC1
SCHEMBL22049218 0.96 MMP12 (0.34) MMP12MMP13HCRTR1ATMNPC1
SCHEMBL24801428 0.96 MMP12 (0.34) MMP12MMP13HCRTR1ATMNPC1
SCHEMBL24959813 0.96 MMP12 (0.34) MMP12MMP13HCRTR1ATMNPC1
SCHEMBL24990407 0.95 MMP12 (0.34) MMP12MMP13HCRTR1ATMNPC1
SCHEMBL27070735 0.95 MMP12 (0.34) MMP12MMP13HCRTR1ATMNPC1
SCHEMBL26473042 0.95 HCRTR1 (0.33) MMP12MMP13HCRTR1ATMNPC1
SCHEMBL25965856 0.94 KDM4E (0.35) MMP12MMP13HCRTR1ATMNPC1
SCHEMBL24078496 0.94 KDM4E (0.36) MMP12MMP13HCRTR1ATMKDM4E

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-20230255106-A1 ORGANIC ELECTROLUMINESCENT APPARATUS MERCK PATENT GMBH (DE) 2023-08-10 US disclosed
US-20230255106-A1 ORGANIC ELECTROLUMINESCENT APPARATUS MERCK PATENT GMBH (DE) 2023-08-10 US disclosed