SCHEMBL17033436

SCHEMBL17033436

c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(cc6c7ccccc7c7ccccc7n65)c43)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ACHE P22303 1/20 0.31
CYP19A1 P11511 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
ALOX12 P18054 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
DHODH Q02127 1/20 0.31
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL17033777 0.99 HSD17B10 (0.35) TSHRKDM4EHSD17B10MEN1KMT2A
SCHEMBL17033421 0.94 KDM4E (0.34) TSHRKDM4EHSD17B10
SCHEMBL17033737 0.88 MAPT (0.41) TSHRKDM4EHSD17B10MEN1KMT2A
SCHEMBL17033619 0.87 KDM4E (0.35) TSHRKDM4EHSD17B10MEN1KMT2A
SCHEMBL17033762 0.87 PTGER1 (0.34) TSHRKDM4EHSD17B10MEN1KMT2A
SCHEMBL17033433 0.87 MEN1 (0.36) TSHRKDM4EHSD17B10MEN1KMT2A
SCHEMBL17864180 0.86 KDM4E (0.37) TSHRKDM4EHSD17B10MEN1KMT2A
SCHEMBL17033651 0.86 HSD17B10 (0.34) TSHRKDM4EHSD17B10MEN1KMT2A
SCHEMBL17033801 0.86 KDM4E (0.36) TSHRKDM4EHSD17B10MEN1KMT2A
SCHEMBL16067161 0.85 KDM4E (0.34) TSHRKDM4EHSD17B10ALDH1A1MAPT

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-2015125986-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-08-27 WO disclosed