SCHEMBL17033801

SCHEMBL17033801

c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c5cc6c7ccccc7c7ccccc7n6c5ccc43)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP19A1 P11511 4/20 0.31
ACHE P22303 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
CYP11B1 P15538 2/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 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
GABRA1 P14867 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
SCHEMBL17033825 0.99 KDM4E (0.35) KDM4ETSHRHSD17B10MEN1KMT2A
SCHEMBL17033818 0.94 KDM4E (0.34) KDM4ETSHRHSD17B10
SCHEMBL17033799 0.88 MAPT (0.42) KDM4ETSHRHSD17B10MEN1KMT2A
SCHEMBL17033560 0.87 KDM4E (0.34) KDM4ETSHRHSD17B10ALDH1A1MAPT
SCHEMBL17033823 0.87 PTGER1 (0.34) KDM4ETSHRHSD17B10MEN1KMT2A
SCHEMBL17033470 0.87 KDM4E (0.36) KDM4ETSHRHSD17B10MEN1KMT2A
SCHEMBL17033819 0.87 MEN1 (0.36) KDM4ETSHRHSD17B10MEN1KMT2A
SCHEMBL17033832 0.86 KDM4E (0.33) KDM4ETSHRHSD17B10MEN1KMT2A
SCHEMBL19890593 0.86 TSHR (0.34) KDM4ETSHRHSD17B10MEN1KMT2A
SCHEMBL16066240 0.86 KDM4E (0.32) KDM4ETSHRHSD17B10MEN1KMT2A

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