SCHEMBL11077460

SCHEMBL11077460

CCCSP(=O)(OCC)Oc1ccc(-c2cnc3cc(F)ccc3n2)cc1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.35
PIK3CA P42336 3/20 0.35
MAPK8 P45983 3/20 0.35
MAPK9 P45984 3/20 0.35
MAPK10 P53779 3/20 0.35
MAPT P10636 4/20 0.34
ALDH1A1 P00352 3/20 0.34
GAA P10253 2/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
HPGD P15428 1/20 0.33
PRNP P04156 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPC1 O15118 4/20 0.32
KDM4E B2RXH2 1/20 0.32
RAB9A P51151 3/20 0.32
PDGFRB P09619 1/20 0.31
PDGFRA P16234 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NMT2 O60551 1/20 0.31

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 0.89 KMT2A (0.39) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL11076390 0.89 MAPT (0.43) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL11077871 0.89 TDO2 (0.34) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL11078682 0.86 NPC1 (0.35) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL11084393 0.77 MEN1 (0.39) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL10947095 0.75 HTT (0.43) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL11082728 0.74 MEN1 (0.36) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL11084575 0.71 MEN1 (0.34) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL10358876 0.71 PKM (0.39) MAPTKMT2AMEN1
SCHEMBL11282447 0.70 KDM4E (0.47) MAPK1MAPTALDH1A1GAAHPGD

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 3 patents. 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
US-4462994-A O-ARYLPHOSPHATE DERIVATIVE OF QUINOXALINE NISSAN CHEMICAL INDUSTRIES, INC. (JP) 1984-07-31 US disclosed
EP-0065287-A2 N-containing heterocyclic ring-substituted O-arylphosphate derivatives, preparation thereof, and insecticides containing said derivatives NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1982-11-24 EP disclosed