SCHEMBL8555675

SCHEMBL8555675

C=C(C)C(=O)OCc1cc(C=S)cc([N+](=O)[O-])c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 2/20 0.38
MAPT P10636 5/20 0.38
HTT P42858 2/20 0.36
LMNA P02545 4/20 0.35
MAOB P27338 2/20 0.34
MAOA P21397 1/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PDE1C Q14123 1/20 0.34
NTSR1 P30989 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PDE7A Q13946 1/20 0.34
PDE3A Q14432 1/20 0.34
MEN1 O00255 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL10377296 0.89 GLO1 (0.39) GLO1MAPTHTTLMNAMAOB
SCHEMBL11028650 0.87 HTT (0.42) MAPTHTTLMNAMAOBMAOA
SCHEMBL8555674 0.81 SMN1; SMN2 (0.33) GLO1MAPTHTTLMNAMAOB
SCHEMBL1130104 0.76 MAOB (0.57) MAPTHTTLMNAMAOBMAOA
SCHEMBL8553675 0.76 ERN1 (0.38) GLO1MAPTHTTLMNAKMT2A
SCHEMBL5445040 0.76 MAOB (0.54) MAPTHTTMAOBMAOASMN1; SMN2
SCHEMBL11025869 0.73 ALDH1A1 (0.37) MAPTHTTLMNAKMT2ASMN1; SMN2
SCHEMBL11027638 0.73 THRB (0.42) MAPTHTTMAOBMAOAKMT2A
SCHEMBL11029734 0.73 KMT2A (0.42) MAPTHTTLMNAKMT2AKDM4E
SCHEMBL13586901 0.72 ALDH1A1 (0.47) MAPTHTTLMNAMAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0529100-B1 INDOLINOSPIROBENZOPYRAN DERIVATIVE OTSUKA KAGAKU KK (JP) 1998-11-11 EP disclosed
EP-0530369-B1 CRYSTAL COMPRISING INDOLINOSPIROBENZOTHIOPYRAN DERIVATIVE AND RING-OPENING ISOMER THEREOF OTSUKA KAGAKU KK (JP) 1997-02-05 EP disclosed
US-5403702-A Crystals consisting of an indolinospirobenzopyran derivative OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1995-04-04 US disclosed
US-5320784-A Crystal comprising an indolinospirobenzothiopyran derivative and its ring opened isomer OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1994-06-14 US disclosed
EP-0530369-A1 CRYSTAL COMPRISING INDOLINOSPIROBENZOTHIOPYRAN DERIVATIVE AND RING-OPENING ISOMER THEREOF OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1993-03-10 EP disclosed
EP-0529100-A1 INDOLINOSPIROBENZOPYRAN DERIVATIVE OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1993-03-03 EP disclosed