SCHEMBL17033640

SCHEMBL17033640

c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5cc6c7ccccc7c7ccccc7n6c5c43)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ATM Q13315 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
PDE5A O76074 3/20 0.32
MAPT P10636 2/20 0.32
GBA1 P04062 1/20 0.32
GAA P10253 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
ACP1 P24666 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
SCHEMBL17033702 0.97 MEN1 (0.33) KDM4ETSHRHSD17B10ATML3MBTL1
SCHEMBL17033604 0.93 GP6 (0.33) KDM4ETSHRHSD17B10
SCHEMBL17033641 0.90 PDE10A (0.34) ATMMEN1KMT2APDE5AALDH1A1
SCHEMBL17033656 0.90 ATM (0.37) KDM4ETSHRHSD17B10ATML3MBTL1
SCHEMBL16067124 0.90 ATM (0.33) KDM4ETSHRHSD17B10ATML3MBTL1
SCHEMBL17033625 0.89 ATM (0.36) KDM4ETSHRHSD17B10ATML3MBTL1
SCHEMBL17033390 0.89 MAPT (0.34) KDM4ETSHRHSD17B10ATML3MBTL1
SCHEMBL17033601 0.88 KDM4E (0.36) KDM4ETSHRHSD17B10ATML3MBTL1
SCHEMBL17033635 0.87 CYP1A1 (0.39) KDM4EHSD17B10L3MBTL1MEN1KMT2A
SCHEMBL17033633 0.86 L3MBTL1 (0.34) KDM4ETSHRHSD17B10ATML3MBTL1

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