SCHEMBL24149778

SCHEMBL24149778

c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5cc6c7ccccc7n7c8ccc(-c9ccc%10c%11cc(-c%12cc%13c%14ccccc%14n%14c%15ccccc%15c(c%12)c%13%14)cc%12c%13ccccc%13n(c%10c9)c%12%11)cc8c(c5)c67)ccc43)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ATM Q13315 1/20 0.45
TSPO P30536 1/20 0.38
HDAC4 P56524 1/20 0.38
KMT2A Q03164 2/20 0.36
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
MAOB P27338 1/20 0.34
NR3C1 P04150 1/20 0.34
DNM1 Q05193 1/20 0.33
AKR1C4 P17516 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33
IL1R1 P14778 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL17146718 0.97 L3MBTL1 (0.49) L3MBTL1KDM4EATMTSPOHDAC4
SCHEMBL17146713 0.96 L3MBTL1 (0.45) L3MBTL1KDM4EATMTSPOHDAC4
SCHEMBL16850121 0.96 L3MBTL1 (0.49) L3MBTL1KDM4EATMTSPOHDAC4
SCHEMBL16850102 0.96 L3MBTL1 (0.49) L3MBTL1KDM4EATMTSPOHDAC4
SCHEMBL23823895 0.96 L3MBTL1 (0.49) L3MBTL1KDM4EATMTSPOHDAC4
SCHEMBL16850120 0.96 L3MBTL1 (0.49) L3MBTL1KDM4EATMTSPOHDAC4
SCHEMBL25480059 0.96 L3MBTL1 (0.49) L3MBTL1KDM4EATMTSPOHDAC4
SCHEMBL18073704 0.95 KDM4E (0.42) L3MBTL1KDM4EATMTSPOHDAC4
SCHEMBL16842517 0.95 KDM4E (0.45) L3MBTL1KDM4EATMTSPOHDAC4
SCHEMBL18073668 0.95 KDM4E (0.45) L3MBTL1KDM4EATMTSPOHDAC4

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
WO-2021259824-A1 METHOD FOR PRODUCING A MIXTURE MERCK PATENT GMBH (DE) 2021-12-30 WO disclosed