SCHEMBL27779243

SCHEMBL27779243

CNC(=O)OCc1cc(I)ccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.41
SCN5A Q14524 2/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
PKM P14618 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
MAPT P10636 3/20 0.37
RAB9A P51151 2/20 0.37
IDO1 P14902 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP12 P39900 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL13647270 0.84 SCN5A (0.51) SCN9ASCN5AKMT2AMEN1MAPT
SCHEMBL16335169 0.82 HPGD (0.43) SCN9ASCN5AKMT2AMEN1PKM
SCHEMBL14031246 0.81 CASP3 (0.56) SCN9ASCN5AKMT2AMEN1PKM
SCHEMBL16334707 0.81 ALDH1A1 (0.47) SCN9ASCN5AKMT2AMEN1PKM
SCHEMBL4438859 0.80 IDO1 (0.44) SCN9ASCN5ACASP3SENP8SENP7
SCHEMBL28896598 0.79 ALDH1A1 (0.42) SCN9ASCN5AKMT2AMEN1PKM
SCHEMBL16335747 0.76 MAPT (0.39) SCN9ASCN5AKMT2AMEN1MAPT
SCHEMBL16335748 0.76 MAPT (0.39) SCN9ASCN5AKMT2AMEN1MAPT
SCHEMBL29034669 0.75 GAA (0.59) KMT2AMEN1PKMIDO1L3MBTL1
Sirmate SCHEMBL1879856 0.75 IDO1 (0.50) SCN9ASCN5AKMT2AMEN1PKM

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
CN-101686688-A substituted benzene fungicides DU PONT 2010-03-31 CN disclosed