SCHEMBL17033904

SCHEMBL17033904

c1ccc(-c2cccc(-c3cc(-n4c5ccccc5c5ccc6c(cc7c8ccccc8c8ccccc8n76)c54)ncn3)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.38
NPC1 O15118 1/20 0.36
TSHR P16473 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HRH4 Q9H3N8 1/20 0.34
GRM5 P41594 2/20 0.32
DPP4 P27487 3/20 0.32
LIMK1 P53667 1/20 0.32
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 1/20 0.30
MIF P14174 1/20 0.30
ASIC3 Q9UHC3 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
SCHEMBL17033873 0.99 KMO (0.38) KMONPC1TSHRRECQLRAB9A
SCHEMBL17033906 0.85 PDE4A (0.36) TSHRHSD17B10
SCHEMBL17033877 0.85
SCHEMBL17033881 0.85 KMO (0.35) KMONPC1TSHRRECQLRAB9A
SCHEMBL17033913 0.84 PDE4A (0.35) TSHRLIMK1HSD17B10
SCHEMBL17033874 0.84 KMO (0.34) KMONPC1TSHRRECQLRAB9A
SCHEMBL17033421 0.83 KDM4E (0.34) TSHRHSD17B10
SCHEMBL17033431 0.83 PDE4A (0.37) TSHRSMN1; SMN2LIMK1HSD17B10
SCHEMBL17033456 0.81 KDM4E (0.30) TSHRHSD17B10
SCHEMBL17033888 0.80 LIMK1 (0.32) LIMK1

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