SCHEMBL20001772

SCHEMBL20001772

O=Cc1c(Br)cccc1-n1nn[nH]c1=O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.33
FEN1 P39748 1/20 0.31
MGLL Q99685 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
SCHEMBL8160888 0.81 MGLL (0.43) FEN1MGLL
SCHEMBL18504534 0.79 FEN1 (0.33) FEN1MGLL
SCHEMBL15351721 0.79 JAK2 (0.36) FEN1MGLL
SCHEMBL20001711 0.78 FEN1 (0.32) FEN1MGLL
SCHEMBL8910664 0.76 FEN1 (0.37) FEN1MGLL
SCHEMBL19994408 0.73 NFE2L2 (0.34) MGLL
SCHEMBL18546285 0.73 HCAR1 (0.44) MGLL
SCHEMBL20001721 0.70 KMT2A (0.33) MGLL
SCHEMBL31398188 0.70 ALDH1A1 (0.34) FEN1
SCHEMBL8917531 0.70 ALDH1A1 (0.34) FEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018114541-A2 MICROBIOCIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2018-06-28 WO disclosed
WO-2018055133-A1 MICROBIOCIDAL TETRAZOLONE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2018-03-29 WO disclosed