SCHEMBL5501978

SCHEMBL5501978

CSCC(c1nc(C)cc(C)n1)c1cccc(F)c1N

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
CHRM4 P08173 2/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
GFER P55789 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31
SLC6A2 P23975 1/20 0.31
GRM5 P41594 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
HTT P42858 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL5502761 0.88 MEN1 (0.30) KMT2AMEN1
SCHEMBL5501405 0.84 NR4A2 (0.38) KMT2AMEN1ALDH1A1GAANOS3
SCHEMBL5498822 0.82 NPC1 (0.30) NPC1RAB9A
SCHEMBL2282271 0.81 MEN1 (0.35) KMT2AMEN1ALDH1A1GAAGFER
SCHEMBL2282195 0.79 KMT2A (0.35) KMT2AMEN1ALDH1A1GAAGFER
SCHEMBL2289428 0.79 KMT2A (0.35) KMT2AMEN1ALDH1A1GAAGFER
SCHEMBL2291781 0.77 KMT2A (0.37) KMT2AMEN1ALDH1A1GAAGFER
SCHEMBL2289583 0.77 KMT2A (0.34) KMT2AMEN1CHRM4ALDH1A1GAA
SCHEMBL5502204 0.72 MEN1 (0.31) KMT2AMEN1
SCHEMBL5501980 0.72 KMT2A (0.36) KMT2AMEN1CHRM4ALDH1A1TDP1

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
EP-1773124-A1 A USE OF SULFONANILIDES AS AGRICULTURAL AND HORTICULTURAL FUNGICIDE Bayer CropScience Aktiengesellschaft (DE) 2007-04-18 EP disclosed
WO-2006008159-A1 A USE OF SULFONANILIDES AS AGRICULTURAL AND HORTICULTURAL FUNGICIDE BAYER CROPSCIENCE AG (DE) 2006-01-26 WO disclosed