SCHEMBL8085362

SCHEMBL8085362

O=[N+]([O-])c1ccccc1OP(=O)(Cl)Oc1ccccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.56
TDP1 Q9NUW8 2/20 0.56
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
RECQL P46063 1/20 0.55
HPGD P15428 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 3/20 0.44
HTT P42858 2/20 0.44
MEN1 O00255 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 2/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.42
ESR2 Q92731 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL6009724 0.89 ALDH1A1 (0.56) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL8085366 0.86 ALDH1A1 (0.53) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL8085364 0.86 ALDH1A1 (0.53) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL36924 0.85 ALDH1A1 (0.60) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL11419909 0.84 ALDH1A1 (0.55) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL29981558 0.83 ALDH1A1 (0.58) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL307762 0.83 ALDH1A1 (0.58) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL6009726 0.82 ALDH1A1 (0.53) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL6377819 0.81 ALDH1A1 (0.56) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL2474283 0.81 ALDH1A1 (0.56) ALDH1A1TDP1NPC1RAB9ARECQL

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1043982-A2 LIPASE INHIBITING POLYMERS Geltex Pharmaceuticals, Inc. (US) 2000-10-18 EP disclosed
WO-1999034786-A2 LIPASE INHIBITING POLYMERS GELTEX PHARMACEUTICALS, INC. (US) 1999-07-15 WO disclosed