SCHEMBL23760138

SCHEMBL23760138

Brc1ccc2c(c1)c1c(c3c4ccccc4c4cccc1n43)n2-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ATM Q13315 1/20 0.44
TSPO P30536 3/20 0.36
ALDH1A1 P00352 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
LIG1 P18858 1/20 0.34
CA9 Q16790 2/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
RAD52 P43351 1/20 0.32
CA12 O43570 1/20 0.32
JAK3 P52333 2/20 0.32
JAK2 O60674 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
BRCA1 P38398 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PLK1 P53350 1/20 0.31

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
SCHEMBL22035870 0.90 L3MBTL1 (0.44) L3MBTL1KDM4EATMTSPOALDH1A1
SCHEMBL22036701 0.86 KDM4E (0.55) L3MBTL1KDM4EATMALDH1A1MEN1
SCHEMBL23760172 0.84 L3MBTL1 (0.44) L3MBTL1KDM4EATMTSPOALDH1A1
SCHEMBL23760169 0.84 L3MBTL1 (0.47) L3MBTL1KDM4EATMTSPOALDH1A1
SCHEMBL23760161 0.84 L3MBTL1 (0.47) L3MBTL1KDM4EATMTSPOALDH1A1
SCHEMBL22036321 0.83 L3MBTL1 (0.46) L3MBTL1KDM4EATMTSPOALDH1A1
SCHEMBL22035832 0.83 KDM4E (0.49) L3MBTL1KDM4EATMALDH1A1MEN1
SCHEMBL23760199 0.82 L3MBTL1 (0.47) L3MBTL1KDM4EATMALDH1A1MEN1
SCHEMBL23760213 0.82 ABCG2 (0.37) ATMTSPOALDH1A1MEN1KMT2A
SCHEMBL21453818 0.82 KDM4E (0.50) L3MBTL1KDM4EATMALDH1A1MEN1

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