SCHEMBL22023754

SCHEMBL22023754

c1ccc(-c2cccc(-n3c4ccc(-c5ccc6sc7ccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)cc7c6c5)cc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTGER4 P35408 1/20 0.37
PIM3 Q86V86 1/20 0.36
LIMK1 P53667 1/20 0.34
TSPO P30536 1/20 0.34
PDE10A Q9Y233 1/20 0.33
ROCK1 Q13464 1/20 0.33
NPY5R Q15761 1/20 0.32
AVPR1A P37288 1/20 0.32
HDAC4 P56524 1/20 0.32
KMT2A Q03164 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
IL1R1 P14778 1/20 0.32

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
SCHEMBL15785992 0.99 L3MBTL1 (0.42) KDM4EATML3MBTL1PTGER4PIM3
SCHEMBL15785994 0.98 KDM4E (0.41) KDM4EATML3MBTL1PTGER4PIM3
SCHEMBL19626194 0.97 PIM3 (0.37) KDM4EATML3MBTL1PTGER4PIM3
SCHEMBL18505404 0.97 PIM3 (0.37) KDM4EATML3MBTL1PTGER4PIM3
SCHEMBL19626192 0.97 PIM3 (0.37) KDM4EATML3MBTL1PTGER4PIM3
SCHEMBL24257888 0.97 KDM4E (0.42) KDM4EATML3MBTL1PTGER4PIM3
SCHEMBL22257957 0.96 L3MBTL1 (0.44) KDM4EATML3MBTL1PTGER4PIM3
SCHEMBL15786080 0.95 KDM4E (0.38) KDM4EATML3MBTL1PTGER4PIM3
SCHEMBL22257955 0.95 L3MBTL1 (0.43) KDM4EATML3MBTL1PTGER4PIM3
SCHEMBL12093280 0.95 KDM4E (0.43) KDM4EATML3MBTL1PTGER4PIM3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200168810-A1 COMPOSITION FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-05-28 US disclosed