SCHEMBL8553666

SCHEMBL8553666

C=C(C)COCc1cc([N+](=O)[O-])cc(C=S)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.39
HTT P42858 4/20 0.35
LMNA P02545 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 8/20 0.35
GPR35 Q9HC97 2/20 0.35
POLB P06746 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HPGD P15428 2/20 0.33
MAPT P10636 5/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GALR3 O60755 1/20 0.33
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 2/20 0.31
RECQL P46063 2/20 0.31
SAE1 Q9UBE0 1/20 0.31
UBA2 Q9UBT2 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31

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
SCHEMBL8125144 0.89 ERN1 (0.51) ERN1HTTLMNAMEN1KMT2A
SCHEMBL8553675 0.82 ERN1 (0.38) ERN1HTTLMNAMEN1KMT2A
SCHEMBL9846465 0.76 ERN1 (0.37) ERN1HTTLMNAMEN1KMT2A
SCHEMBL9846472 0.75 ERN1 (0.36) ERN1HTTLMNAMEN1KMT2A
SCHEMBL8555292 0.75 ERN1 (0.37) ERN1HTTLMNAKMT2AALDH1A1
SCHEMBL8555674 0.75 SMN1; SMN2 (0.33) ERN1HTTLMNAALDH1A1MAPT
SCHEMBL8125146 0.71 ERN1 (0.50) ERN1HTTLMNAMEN1KMT2A
SCHEMBL11250231 0.70 ERN1 (0.62) ERN1HTTLMNAMEN1KMT2A
SCHEMBL9033065 0.70 MEN1 (0.43) ERN1HTTLMNAMEN1KMT2A
SCHEMBL10838147 0.69 ERN1 (0.75) ERN1HTTLMNAMEN1KMT2A

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 12 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
EP-0466938-B1 HIGH-MOLECULAR SPIROPYRAN COMPOUND OTSUKA KAGAKU KK (JP) 1996-12-27 EP disclosed
EP-0411157-B1 SPIROPYRAN COMPOUNDS OTSUKA KAGAKU KK (JP) 1996-05-22 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
US-5252742-A Spiropyran compounds OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1993-10-12 US disclosed
US-5241027-A MACROMOLECULAR SPIROPYRAN COMPOUNDS OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1993-08-31 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
EP-0466938-A1 HIGH-MOLECULAR SPIROPYRAN COMPOUND OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1992-01-22 EP disclosed
EP-0411157-A1 SPIROPYRAN COMPOUNDS OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1991-02-06 EP disclosed