SCHEMBL8558386

SCHEMBL8558386

CCOC(=O)Oc1cc([N+](=O)[O-])cnc1OC(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.46
POLB P06746 2/20 0.45
GLA P06280 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.41
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 4/20 0.40
CYP1A2 P05177 1/20 0.40
GAA P10253 1/20 0.40
GALR2 O43603 1/20 0.38
MITF O75030 1/20 0.38
LMNA P02545 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HPGD P15428 1/20 0.38
XBP1 P17861 1/20 0.38
CCR6 P51684 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 1/20 0.37

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
SCHEMBL9678280 0.80 CUL4A (0.40) MAPTKDM4EKMT2AALDH1A1LMNA
SCHEMBL9678275 0.77 CUL4A (0.41) MAPTPOLBRAB9AKDM4ESMN1; SMN2
SCHEMBL9678306 0.77 CUL4A (0.39) KMT2AALDH1A1
SCHEMBL8566455 0.77 SMN1; SMN2 (0.36) MAPTNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL9233277 0.76 DPP4 (0.40) MAPTPOLBGLANPC1RAB9A
SCHEMBL8560830 0.76 ALDH1A1 (0.40) MAPTPOLBNPC1RAB9AKDM4E
SCHEMBL962620 0.74 NPC1 (0.44) MAPTPOLBNPC1SMN1; SMN2KMT2A
SCHEMBL8563058 0.74 TDP1 (0.43) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL7608571 0.74 CUL4A (0.36) POLBKDM4EALDH1A1
SCHEMBL1313734 0.74 MAPT (0.53) MAPTPOLBGLANPC1RAB9A

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-0663399-B1 Pyridine-2,3-dicarboxylic imides, process for their preparation and their use to control the growth of unwanted plants BASF AG (DE) 1998-06-10 EP disclosed
EP-0663399-A1 Pyridine-2,3-dicarboxylic imides, process for their preparation and their use to control the growth of unwanted plants BASF AKTIENGESELLSCHAFT (DE) 1995-07-19 EP disclosed