SCHEMBL18645829

SCHEMBL18645829

c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)c4ccc6c7ccccc7sc6c4n5-c4ccccc4)cc3)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.35
ALOX5 P09917 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPT P10636 2/20 0.31
TP53 P04637 1/20 0.31
APP P05067 1/20 0.30
TNKS O95271 1/20 0.30
TNKS2 Q9H2K2 1/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
GLA P06280 1/20 0.30
AKT1 P31749 1/20 0.30
AKT2 P31751 1/20 0.30
AKT3 Q9Y243 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
NPC1 O15118 1/20 0.30
USP2 O75604 1/20 0.30
RAB9A P51151 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
SCHEMBL18647167 0.97 HSD17B10 (0.37) HSD17B10KDM4EATML3MBTL1MAPT
SCHEMBL18647166 0.96 HSD17B10 (0.35) HSD17B10ALOX5KDM4EATML3MBTL1
SCHEMBL18647169 0.96 HSD17B10 (0.35) HSD17B10ALOX5KDM4EATML3MBTL1
SCHEMBL18647185 0.95 HSD17B10 (0.32) HSD17B10ALOX5RXFP1
SCHEMBL18646981 0.93 KDM4E (0.35) HSD17B10ALOX5KDM4EATML3MBTL1
SCHEMBL17427640 0.92 TNKS (0.32) HSD17B10ALOX5APPTNKSTNKS2
SCHEMBL31776 0.92 ATM (0.37) HSD17B10ALOX5KDM4EATML3MBTL1
SCHEMBL15139089 0.91 LIMK1 (0.34) HSD17B10
SCHEMBL16231208 0.91 LIMK1 (0.34) HSD17B10
SCHEMBL15139101 0.91 LIMK1 (0.34) HSD17B10

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-2017043835-A1 ORGANIC ELECTRONIC DIODE COMPOUND, ORGANIC ELECTRONIC DIODE USING SAME, AND DEVICE THEREFOR 덕산네오룩스 주식회사 2017-03-16 WO disclosed