SCHEMBL17033403

SCHEMBL17033403

c1ccc2cc(-n3c4ccccc4c4cc5cc6c7ccccc7c7ccccc7n6c5cc43)ccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
BACE1 P56817 8/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR3A P46098 1/20 0.35
HTR5A P47898 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
PRSS1 P07477 1/20 0.34
PMM2 O15305 1/20 0.34

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
SCHEMBL17033518 0.96 KDM4E (0.40) KDM4EATML3MBTL1ALDH1A1RAB9A
SCHEMBL17033410 0.92 ALDH1A1 (0.39) KDM4EATML3MBTL1ALDH1A1RAB9A
SCHEMBL13828934 0.88 KDM4E (0.48) KDM4EATML3MBTL1ALDH1A1RAB9A
SCHEMBL17033507 0.88 HPRT1 (0.38) KDM4EATML3MBTL1ALDH1A1RAB9A
SCHEMBL17033404 0.87 KDM4E (0.36) KDM4EATML3MBTL1BACE1
SCHEMBL17033398 0.87 KDM4E (0.46) KDM4EATML3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL17033425 0.85 KDM4E (0.56) KDM4EATML3MBTL1ALDH1A1SIGMAR1
SCHEMBL21369850 0.85 KDM4E (0.48) KDM4EATML3MBTL1ALDH1A1RAB9A
SCHEMBL17989824 0.84 KDM4E (0.55) KDM4EATML3MBTL1ALDH1A1RAB9A
SCHEMBL6938289 0.83 KDM4E (0.50) KDM4EATML3MBTL1ALDH1A1RAB9A

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