SCHEMBL4397395

SCHEMBL4397395

Brc1c[c]c2ncc(Br)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.32
DYRK1A Q13627 2/20 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 0.86 PLAU (0.33) HTTKMT2ASMN1; SMN2
SCHEMBL4399733 0.84 PLAU (0.32) HTT
SCHEMBL4397036 0.84 SMN1; SMN2 (0.36) HTTKMT2ASMN1; SMN2
SCHEMBL4397949 0.84
SCHEMBL4402185 0.84 POLB (0.32) HTTKMT2A
SCHEMBL4402445 0.74 CYP2A6 (0.34) HTTKMT2ASMN1; SMN2
SCHEMBL1500697 0.66 SMN1; SMN2 (0.48) HTTKMT2ASMN1; SMN2DYRK1A
SCHEMBL3268827 0.64
SCHEMBL14955110 0.64 PIM1 (0.38) SMN1; SMN2
SCHEMBL692659 0.63 IDO1 (0.38) HTTKMT2ASMN1; SMN2

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