SCHEMBL11078682

SCHEMBL11078682

CCCSP(=O)(OCC)Oc1ccc(-c2cnc3ccc(Br)cc3n2)cc1O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.35
RAB9A P51151 4/20 0.35
MAPT P10636 4/20 0.34
MAPK1 P28482 3/20 0.33
PIK3CA P42336 3/20 0.33
MAPK8 P45983 3/20 0.33
MAPK9 P45984 3/20 0.33
MAPK10 P53779 3/20 0.33
KDM4E B2RXH2 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
KMT2A Q03164 1/20 0.31
RELA Q04206 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GRIN2B Q13224 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
SCHEMBL11076390 0.89 MAPT (0.43) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL11077460 0.86 MAPK1 (0.35) NPC1RAB9AMAPTMAPK1PIK3CA
SCHEMBL11075195 0.86 KMT2A (0.39) NPC1RAB9AMAPTMAPK1PIK3CA
SCHEMBL11077871 0.83 TDO2 (0.34) NPC1RAB9AMAPK1PIK3CAMAPK8
SCHEMBL11081532 0.83 NPC1 (0.32) NPC1RAB9AKMT2A
SCHEMBL11084400 0.77 MEN1 (0.43) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL10939357 0.75 HTT (0.36) NPC1RAB9AMAPTSMN1; SMN2NFKB1
SCHEMBL11084393 0.73 MEN1 (0.39) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL11784939 0.72 MEN1 (0.40) NPC1RAB9AMAPK1SMN1; SMN2KMT2A
Profenofos SCHEMBL25281 0.71 MEN1 (0.52) NPC1RAB9AKDM4ESMN1; SMN2KMT2A

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 4 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
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