SCHEMBL25061381

SCHEMBL25061381

c1ccc(-c2ccc(N3c4ccccc4C4(c5ccccc53)c3ccccc3N(c3ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc3)c3ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc34)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ATM Q13315 1/20 0.42
HDAC4 P56524 1/20 0.37
TSPO P30536 1/20 0.34
KMT2A Q03164 2/20 0.32
IL1R1 P14778 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
PTGER4 P35408 1/20 0.31
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
DNM1 Q05193 1/20 0.30
ADAMTS5 Q9UNA0 1/20 0.30
FAAH O00519 1/20 0.30
MGLL Q99685 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
SCHEMBL25061399 1.00 L3MBTL1 (0.42) L3MBTL1KDM4EATMHDAC4TSPO
SCHEMBL17197573 1.00 L3MBTL1 (0.42) L3MBTL1KDM4EATMHDAC4TSPO
SCHEMBL17197574 1.00 L3MBTL1 (0.42) L3MBTL1KDM4EATMHDAC4TSPO
SCHEMBL12334196 0.96 KDM4E (0.38) L3MBTL1KDM4EATMHDAC4TSPO
SCHEMBL21453931 0.95 L3MBTL1 (0.46) L3MBTL1KDM4EATMHDAC4TSPO
SCHEMBL17197575 0.95 L3MBTL1 (0.42) L3MBTL1KDM4EATMHDAC4TSPO
SCHEMBL12334189 0.94 L3MBTL1 (0.39) L3MBTL1KDM4EATMHDAC4TSPO
SCHEMBL12126523 0.93 L3MBTL1 (0.40) L3MBTL1KDM4EATMHDAC4TSPO
SCHEMBL10309960 0.93 KDM4E (0.40) L3MBTL1KDM4EATMHDAC4TSPO
SCHEMBL14296730 0.91 KDM4E (0.42) L3MBTL1KDM4EATMHDAC4TSPO

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-20230058635-A1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2023-02-23 US disclosed