SCHEMBL11076390

SCHEMBL11076390

CCCSP(=O)(OCC)Oc1ccc(-c2cnc3ccccc3n2)cc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.43
NPC1 O15118 9/20 0.43
KDM4E B2RXH2 4/20 0.43
RAB9A P51151 7/20 0.42
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
HPGD P15428 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 3/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
BCHE P06276 1/20 0.39
LMNA P02545 3/20 0.39
MEN1 O00255 2/20 0.39
HTT P42858 1/20 0.39
TP53 P04637 1/20 0.37
STAT1 P42224 1/20 0.37
GAA P10253 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL11078682 0.89 NPC1 (0.35) MAPTNPC1KDM4ERAB9AALDH1A1
SCHEMBL11075195 0.89 KMT2A (0.39) MAPTNPC1KDM4ERAB9AALDH1A1
SCHEMBL11077460 0.89 MAPK1 (0.35) MAPTNPC1KDM4ERAB9AALDH1A1
SCHEMBL11077871 0.87 TDO2 (0.34) NPC1RAB9A
SCHEMBL11084393 0.76 MEN1 (0.39) KDM4EALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL11082728 0.73 MEN1 (0.36) MAPTKMT2AMEN1TP53
SCHEMBL3004664 0.73 NPC1 (0.58) MAPTNPC1KDM4ERAB9AALDH1A1
Demeton S SCHEMBL6047076 0.72 NPC1 (0.49) MAPTNPC1KDM4ERAB9AALDH1A1
SCHEMBL11081532 0.72 NPC1 (0.32) NPC1RAB9AKMT2AMEN1
SCHEMBL10624057 0.72 MEN1 (0.38) KMT2AMEN1

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