SCHEMBL4397674

SCHEMBL4397674

Clc1c[c]c2ncc(Br)cc2c1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.33
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL4399733 0.87 PLAU (0.32) PLAUHTT
SCHEMBL4397395 0.86 HTT (0.35) HTTKMT2ASMN1; SMN2
SCHEMBL4397001 0.84 NOS1 (0.32) PLAUHTTSMN1; SMN2
SCHEMBL4402185 0.79 POLB (0.32) HTTKMT2A
SCHEMBL4397036 0.79 SMN1; SMN2 (0.36) HTTKMT2ASMN1; SMN2
SCHEMBL4409372 0.77
SCHEMBL28292655 0.73 ALDH1A1 (0.34) SMN1; SMN2
SCHEMBL4411598 0.72 CCR1 (0.31)
SCHEMBL4397949 0.72
SCHEMBL4405857 0.72 HTT (0.31) HTT

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