SCHEMBL18201555

SCHEMBL18201555

c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5cc(-c6ccc7sc8ccccc8c7c6)cc(-n6c7ccccc7c7ccccc76)c5)ccc43)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PIM3 Q86V86 1/20 0.38
TSPO P30536 3/20 0.36
GPR3 P46089 1/20 0.34
LIMK1 P53667 1/20 0.33
CYP1A2 P05177 1/20 0.32
ALDH1A1 P00352 3/20 0.32
HTT P42858 2/20 0.32
HSD17B10 Q99714 1/20 0.32
FAAH O00519 1/20 0.32
HSP90AA1 P07900 1/20 0.32
PKM P14618 1/20 0.32
MGLL Q99685 1/20 0.32
DNM1 Q05193 1/20 0.31
HDAC4 P56524 1/20 0.31
PTPN7 P35236 1/20 0.31
DUSP3 P51452 1/20 0.31
PTPN12 Q05209 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
SCHEMBL21578627 0.97 ATM (0.42) ATML3MBTL1KDM4EPIM3TSPO
SCHEMBL20706677 0.97 ATM (0.39) ATML3MBTL1KDM4EPIM3TSPO
SCHEMBL19980347 0.96 ATM (0.41) ATML3MBTL1KDM4EPIM3TSPO
SCHEMBL14867996 0.96 PIM3 (0.37) ATML3MBTL1KDM4EPIM3TSPO
SCHEMBL19009379 0.96 ATM (0.40) ATML3MBTL1KDM4EPIM3TSPO
SCHEMBL19009387 0.96 ATM (0.40) ATML3MBTL1KDM4EPIM3TSPO
SCHEMBL1687716 0.96 ATM (0.40) ATML3MBTL1KDM4EPIM3TSPO
SCHEMBL22672366 0.96 L3MBTL1 (0.45) ATML3MBTL1KDM4EPIM3TSPO
SCHEMBL20706757 0.96 KDM4E (0.40) ATML3MBTL1KDM4EPIM3TSPO
SCHEMBL16901371 0.96 KDM4E (0.40) ATML3MBTL1KDM4EPIM3TSPO

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-2016175533-A2 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME 덕산네오룩스 주식회사 2016-11-03 WO disclosed