SCHEMBL20633262

SCHEMBL20633262

c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)ccc2n3-c2ccc(-c3cccc4c3c3ccccc3n4-c3ccc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cc4)cc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ATM Q13315 1/20 0.49
HDAC4 P56524 1/20 0.41
TSPO P30536 2/20 0.38
KMT2A Q03164 2/20 0.36
IL1R1 P14778 1/20 0.36
ALK Q9UM73 3/20 0.35
DNM1 Q05193 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34
PTGER4 P35408 1/20 0.34
MAPK14 Q16539 1/20 0.34
AKR1C4 P17516 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 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
SCHEMBL19997804 0.97 L3MBTL1 (0.49) L3MBTL1KDM4EATMHDAC4TSPO
SCHEMBL19997813 0.97 L3MBTL1 (0.49) L3MBTL1KDM4EATMHDAC4TSPO
SCHEMBL25941540 0.97 L3MBTL1 (0.49) L3MBTL1KDM4EATMHDAC4TSPO
SCHEMBL19997824 0.97 L3MBTL1 (0.49) L3MBTL1KDM4EATMHDAC4TSPO
SCHEMBL19997822 0.97 L3MBTL1 (0.49) L3MBTL1KDM4EATMHDAC4TSPO
SCHEMBL25941685 0.97 L3MBTL1 (0.49) L3MBTL1KDM4EATMHDAC4TSPO
SCHEMBL17228129 0.97 L3MBTL1 (0.51) L3MBTL1KDM4EATMHDAC4TSPO
SCHEMBL25671911 0.96 L3MBTL1 (0.47) L3MBTL1KDM4EATMHDAC4TSPO
SCHEMBL25941337 0.96 L3MBTL1 (0.47) L3MBTL1KDM4EATMHDAC4TSPO
SCHEMBL23204607 0.96 L3MBTL1 (0.50) 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
WO-2019007867-A1 COMPOSITION FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-01-10 WO disclosed