SCHEMBL11077871

SCHEMBL11077871

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 2/20 0.34
IDO1 P14902 1/20 0.34
KIF20B Q96Q89 1/20 0.33
DHODH Q02127 1/20 0.33
GRIN2B Q13224 1/20 0.33
PIK3CA P42336 3/20 0.32
MAPK1 P28482 2/20 0.32
MAPK8 P45983 2/20 0.32
MAPK9 P45984 2/20 0.32
MAPK10 P53779 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MAOB P27338 1/20 0.32
PARP1 P09874 1/20 0.32
KIT P10721 1/20 0.32
SCN9A Q15858 1/20 0.31
MCHR1 Q99705 1/20 0.31
PPARD Q03181 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
PIK3CD O00329 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
SCHEMBL11077460 0.89 MAPK1 (0.35) PIK3CAMAPK1MAPK8MAPK9MAPK10
SCHEMBL11075195 0.87 KMT2A (0.39) DHODHGRIN2BPIK3CAMAPK1MAPK8
SCHEMBL11076390 0.87 MAPT (0.43) NPC1RAB9A
SCHEMBL11078682 0.83 NPC1 (0.35) GRIN2BPIK3CAMAPK1MAPK8MAPK9
SCHEMBL11084393 0.75 MEN1 (0.39) PIK3CAMAPK1MAPK8MAPK9MAPK10
SCHEMBL11206053 0.72 MEN1 (0.49)
SCHEMBL11208046 0.72 LMNA (0.38)
SCHEMBL11082728 0.71 MEN1 (0.36) PIK3CAMAPK1MAPK8MAPK9MAPK10
SCHEMBL11084575 0.69 MEN1 (0.34) GRIN2BPIK3CAMAPK1MAPK8MAPK9
SCHEMBL11081532 0.68 NPC1 (0.32) NPC1RAB9A

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