SCHEMBL14100007

SCHEMBL14100007

C/C(=N\OCc1cccc(Cl)c1Cl)c1cc(Cl)ccc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
ALOX12 P18054 1/20 0.48
CYP2C19 P33261 1/20 0.48
IDO1 P14902 2/20 0.42
RECQL P46063 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NOS2 P35228 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
PTGS2 P35354 1/20 0.37

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
SCHEMBL14099986 0.84 SMN1; SMN2 (0.40) MAPTKMT2AMEN1CYP1A2CYP3A4
SCHEMBL12779108 0.82 MAPT (0.51) MAPTKMT2AMEN1CYP1A2CYP3A4
SCHEMBL14099985 0.82 NPC1 (0.52) MAPTCYP3A4IDO1NOS2NPC1
SCHEMBL14099976 0.80 NPC1 (0.49) MAPTKMT2AMEN1RECQLL3MBTL1
SCHEMBL12778379 0.76 MAPT (0.43) MAPTKMT2AMEN1CYP1A2CYP3A4
SCHEMBL14100081 0.76 L3MBTL1 (0.40) MAPTKMT2AMEN1RECQLTDP1
SCHEMBL14100051 0.76 LMNA (0.46) MAPTKMT2ACYP3A4CYP2D6CYP2C9
SCHEMBL14100105 0.76 NOS2 (0.42) MAPTKMT2AMEN1CYP3A4RECQL
SCHEMBL14100001 0.74 IDO1 (0.45) MAPTIDO1L3MBTL1NPC1RAB9A
SCHEMBL14100108 0.73 NOS2 (0.42) KMT2AMEN1CYP3A4RECQLTDP1

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-1799636-B1 CONTROL OF PARASITES IN ANIMALS BY THE USE OF NOVEL TRIFLUOROMETHANESULFONANILIDE OXIME ETHER DERIVATIVES SCHERING PLOUGH LTD (CH) 2008-08-27 EP disclosed