SCHEMBL25964934

SCHEMBL25964934

c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2nc(-c3cccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)c3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.35
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTGER4 P35408 1/20 0.33
MMP12 P39900 1/20 0.33
MMP13 P45452 1/20 0.33
PLA2G2A P14555 3/20 0.32
PLA2G4A P47712 3/20 0.32
HCRTR1 O43613 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
PLA2G10 O15496 1/20 0.31
TSPO P30536 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
SCHEMBL25964943 0.97 ATM (0.36) ATMKDM4EL3MBTL1PTGER4MMP12
SCHEMBL20633733 0.96 ATM (0.35) ATMKDM4EL3MBTL1PTGER4MMP12
SCHEMBL23317995 0.96 ATM (0.35) ATMKDM4EL3MBTL1PTGER4MMP12
SCHEMBL25965848 0.96 KDM4E (0.38) ATMKDM4EL3MBTL1PTGER4MMP12
SCHEMBL24078211 0.95 ATM (0.38) ATMKDM4EL3MBTL1PTGER4MMP12
SCHEMBL19769739 0.95 ATM (0.38) ATMKDM4EL3MBTL1PTGER4MMP12
SCHEMBL23317986 0.94 ATM (0.37) ATMKDM4EL3MBTL1PTGER4MMP12
SCHEMBL23318334 0.94 ATM (0.38) ATMKDM4EL3MBTL1PTGER4MMP12
SCHEMBL20634233 0.94 ATM (0.38) ATMKDM4EL3MBTL1PTGER4MMP12
SCHEMBL23318120 0.94 ATM (0.38) ATMKDM4EL3MBTL1PTGER4MMP12

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