SCHEMBL25965856

SCHEMBL25965856

c1ccc(-c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6cccc(-c7nc(-c8ccc9c(c8)oc8ccccc89)nc(-n8c9ccccc9c9ccccc98)n7)c6)c5c43)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
ATM Q13315 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTGER4 P35408 1/20 0.33
MMP12 P39900 1/20 0.32
MMP13 P45452 1/20 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
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
HCRTR1 O43613 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
TTR P02766 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
SCHEMBL24078496 0.98 KDM4E (0.36) KDM4EATML3MBTL1PTGER4MMP12
SCHEMBL25965435 0.96 KDM4E (0.36) KDM4EATML3MBTL1PTGER4MMP12
SCHEMBL22049427 0.96 KDM4E (0.36) KDM4EATML3MBTL1PTGER4MMP12
SCHEMBL25965397 0.95 KDM4E (0.37) KDM4EATML3MBTL1PTGER4MMP12
SCHEMBL24065209 0.94 MMP12 (0.34) KDM4EATML3MBTL1PTGER4MMP12
SCHEMBL22049218 0.94 MMP12 (0.34) KDM4EATML3MBTL1PTGER4MMP12
SCHEMBL25965855 0.94 MMP12 (0.34) KDM4EATML3MBTL1PTGER4MMP12
SCHEMBL24959813 0.94 MMP12 (0.34) KDM4EATML3MBTL1PTGER4MMP12
SCHEMBL24801428 0.94 MMP12 (0.34) KDM4EATML3MBTL1MMP12MMP13
SCHEMBL26056038 0.94 KDM4E (0.33) KDM4EATML3MBTL1PTGER4MMP12

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