SCHEMBL17033873

SCHEMBL17033873

c1ccc(-c2ccc(-c3cccc(-c4cc(-n5c6ccccc6c6ccc7c(cc8c9ccccc9c9ccccc9n87)c65)ncn4)c3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.38
NPC1 O15118 1/20 0.35
TSHR P16473 1/20 0.35
RECQL P46063 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HRH4 Q9H3N8 1/20 0.34
LIMK1 P53667 1/20 0.33
GRM5 P41594 2/20 0.32
DPP4 P27487 3/20 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
SCHEMBL17033904 0.99 KMO (0.38) KMONPC1TSHRRECQLRAB9A
SCHEMBL17033877 0.86
SCHEMBL17033913 0.86 PDE4A (0.35) TSHRLIMK1
SCHEMBL17033874 0.85 KMO (0.34) KMONPC1TSHRRECQLRAB9A
SCHEMBL17033906 0.84 PDE4A (0.36) TSHR
SCHEMBL17033881 0.84 KMO (0.35) KMONPC1TSHRRECQLRAB9A
SCHEMBL17033421 0.83 KDM4E (0.34) TSHR
SCHEMBL17033431 0.82 PDE4A (0.37) TSHRSMN1; SMN2LIMK1
SCHEMBL17033911 0.81 LIMK1 (0.33) LIMK1
SCHEMBL17033456 0.80 KDM4E (0.30) TSHR

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