SCHEMBL1646450

SCHEMBL1646450

CCCCc1nccn1-c1cc(Cl)ccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.44
P2RX7 Q99572 1/20 0.40
ADORA3 P0DMS8 4/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CNR2 P34972 1/20 0.36
HSD11B1 P28845 1/20 0.36
TLR8 Q9NR97 2/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
PDE2A O00408 2/20 0.35

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
SCHEMBL1648503 0.72 RAB9A (0.39) KCNH2ADORA3GAAMAPK1
SCHEMBL31376140 0.71 TLR8 (0.50) KCNH2TLR8
SCHEMBL27562946 0.70 CYP1A2 (0.46) KCNH2MEN1KMT2AHSD11B1GAA
SCHEMBL28569900 0.68 TLR8 (0.38) KCNH2KMT2ATLR8
SCHEMBL27735764 0.68 AVPR1A (0.44) MEN1KMT2AHSD11B1
SCHEMBL5283312 0.65 CETP (0.49) CNR2HSD11B1GAA
SCHEMBL11017732 0.65 CETP (0.49) CNR2HSD11B1GAA
SCHEMBL27747921 0.65 CETP (0.49) CNR2HSD11B1GAA
SCHEMBL28636867 0.65 P2RX7 (0.39) P2RX7HSD11B1
SCHEMBL30645684 0.65 MEN1 (0.44) ADORA3MEN1KMT2AMAPK1

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-2011050003-A2 AIR-STABLE, BLUE LIGHT EMITTING CHEMICAL COMPOUNDS UNIVERSITY OF MISSISSIPPI (US) 2011-04-28 WO disclosed