SCHEMBL4399733

SCHEMBL4399733

Clc1cnc2[c]cc(Br)cc2c1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.32
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 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
SCHEMBL4397674 0.87 PLAU (0.33) PLAUHTT
SCHEMBL4397001 0.86 NOS1 (0.32) PLAUHTTHSD17B10
SCHEMBL4397395 0.84 HTT (0.35) HTT
SCHEMBL4397949 0.78
SCHEMBL4411598 0.78 CCR1 (0.31)
SCHEMBL4405857 0.78 HTT (0.31) HTTHSD17B10
SCHEMBL4409372 0.72
SCHEMBL4402185 0.70 POLB (0.32) HTT
SCHEMBL31378796 0.68 SMN1; SMN2 (0.44) PLAUHTTHSD17B10
SCHEMBL4401093 0.68 CYP2A6 (0.34) HTTHSD17B10

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
EP-1817309-B1 ACETAMIDE COMPOUNDS AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-12-23 EP claimed