SCHEMBL23760169

SCHEMBL23760169

c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4c(c6c7ccccc7c7cccc4n76)n5-c4ccccc4)ccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 2/20 0.47
ATM Q13315 1/20 0.47
TSPO P30536 3/20 0.35
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34
PTGER4 P35408 1/20 0.34
HDAC4 P56524 1/20 0.33
KMT2A Q03164 4/20 0.33
IL1R1 P14778 1/20 0.33
MEN1 O00255 3/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 2/20 0.32
HTT P42858 2/20 0.32
POLB P06746 2/20 0.32
TSHR P16473 1/20 0.32
BRCA1 P38398 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPK8 P45983 1/20 0.30
HPGD P15428 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
SCHEMBL23760161 1.00 L3MBTL1 (0.47) L3MBTL1KDM4EATMTSPOJAK2
SCHEMBL22036719 0.96 L3MBTL1 (0.44) L3MBTL1KDM4EATMTSPOJAK2
SCHEMBL22036321 0.96 L3MBTL1 (0.46) L3MBTL1KDM4EATMTSPOJAK2
SCHEMBL22036139 0.95 L3MBTL1 (0.43) L3MBTL1KDM4EATMTSPOJAK2
SCHEMBL23760172 0.95 L3MBTL1 (0.44) L3MBTL1KDM4EATMTSPOJAK2
SCHEMBL22035864 0.90 L3MBTL1 (0.47) L3MBTL1KDM4EATMTSPOJAK2
SCHEMBL19933768 0.89 KDM4E (0.56) L3MBTL1KDM4EATMTSPOJAK2
SCHEMBL17146726 0.89 KDM4E (0.56) L3MBTL1KDM4EATMTSPOJAK2
SCHEMBL22035832 0.88 KDM4E (0.49) L3MBTL1KDM4EATMJAK2JAK3
SCHEMBL22036722 0.88 KDM4E (0.38) L3MBTL1KDM4EATMTSPOPTGER4

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
EP-3630764-B1 HEXACYCLIC HETEROAROMATIC COMPOUNDS FOR USE IN ELEKTRONIC DEVICES MERCK PATENT GMBH (DE) 2021-08-18 EP disclosed