SCHEMBL11250231

SCHEMBL11250231

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

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 10/20 0.62
HTT P42858 4/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 3/20 0.41
GPR35 Q9HC97 1/20 0.41
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
PRKDC P78527 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GALR3 O60755 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL29607767 0.84 ERN1 (0.60) ERN1HTTLMNAMEN1KMT2A
SCHEMBL6981731 0.84 ERN1 (0.60) ERN1HTTLMNAMEN1KMT2A
SCHEMBL38660601 0.83 ERN1 (0.53) ERN1HTTLMNAMEN1KMT2A
SCHEMBL12697422 0.81 GPR35 (0.51) ERN1HTTLMNAMEN1KMT2A
SCHEMBL8114375 0.81 ERN1 (0.56) ERN1HTTLMNAMEN1KMT2A
SCHEMBL14113093 0.81 ALDH1A1 (0.57) ERN1HTTLMNAMEN1KMT2A
SCHEMBL31046602 0.81 ERN1 (0.56) ERN1HTTLMNAMEN1KMT2A
SCHEMBL8125144 0.81 ERN1 (0.51) ERN1HTTLMNAMEN1KMT2A
SCHEMBL6981282 0.81 ERN1 (0.56) ERN1HTTLMNAMEN1KMT2A
SCHEMBL8125146 0.80 ERN1 (0.50) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0012079-B1 SPIROPYRANE DERIVATIVES OF PIPERIDINE OR THIAZINE CYCLES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN PHOTOCHROMIC COMPOSITIONS ETAT-FRANCAIS représenté par le Délégué Général pour l' Armement (FR) 1982-09-29 EP disclosed
EP-0012079-A1 Spiropyrane derivatives of piperidine or thiazine cycles, process for their preparation and their use in photochromic compositions ETAT-FRANCAIS représenté par le Délégué Général pour l' Armement (FR) 1980-06-11 EP disclosed