SCHEMBL11084393

SCHEMBL11084393

CCCSP(=O)(OCC)Oc1cc(-c2cnc3cc(Cl)ccc3n2)c(Cl)cc1O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPK1 P28482 2/20 0.33
PIK3CA P42336 2/20 0.33
MAPK8 P45983 2/20 0.33
MAPK9 P45984 2/20 0.33
MAPK10 P53779 2/20 0.33
TDP1 Q9NUW8 2/20 0.31
ALDH1A1 P00352 2/20 0.31
NR1I2 O75469 1/20 0.31
CYP3A4 P08684 1/20 0.31
HRH4 Q9H3N8 2/20 0.30
KDM4E B2RXH2 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
FGFR3 P22607 1/20 0.30
KDR P35968 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
SCHEMBL11075195 0.88 KMT2A (0.39) MEN1KMT2AMAPK1PIK3CAMAPK8
SCHEMBL11082728 0.87 MEN1 (0.36) MEN1KMT2AMAPK1PIK3CAMAPK8
SCHEMBL11084575 0.85 MEN1 (0.34) MEN1KMT2AMAPK1PIK3CAMAPK8
SCHEMBL10940185 0.77 HTT (0.39) MEN1KMT2AALDH1A1CYP3A4HRH4
SCHEMBL11077460 0.77 MAPK1 (0.35) MEN1KMT2AMAPK1PIK3CAMAPK8
SCHEMBL10941009 0.77 MEN1 (0.39) MEN1KMT2ATDP1ALDH1A1CYP3A4
SCHEMBL11076390 0.76 MAPT (0.43) MEN1KMT2AALDH1A1CYP3A4KDM4E
SCHEMBL10943146 0.75 MEN1 (0.39) MEN1KMT2ATDP1ALDH1A1CYP3A4
SCHEMBL10939016 0.75 ALDH1A1 (0.43) MEN1KMT2AALDH1A1CYP3A4HRH4
SCHEMBL11081532 0.75 NPC1 (0.32) MEN1KMT2A

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
US-4462994-A O-ARYLPHOSPHATE DERIVATIVE OF QUINOXALINE NISSAN CHEMICAL INDUSTRIES, INC. (JP) 1984-07-31 US claimed