SCHEMBL9811023

SCHEMBL9811023

O=[N+]([O-])c1ccc2c(c1)Cc1cccc(F)c1-2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 2/20 0.54
LMNA P02545 2/20 0.54
MEN1 O00255 1/20 0.54
MAPT P10636 1/20 0.54
RAB9A P51151 1/20 0.54
KMT2A Q03164 1/20 0.54
HSP90AA1 P07900 1/20 0.51
TDP2 O95551 3/20 0.48
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
PARP1 P09874 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HIF1A Q16665 1/20 0.42
PGR P06401 3/20 0.42
F7 P08709 1/20 0.42
F3 P13726 1/20 0.42
TSHR P16473 1/20 0.42
PTPRC P08575 2/20 0.40
S100A4 P26447 1/20 0.40
ADRA2A P08913 1/20 0.40

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
SCHEMBL7741231 0.84 MAPT (0.55) TLR9LMNAMEN1MAPTRAB9A
SCHEMBL3292868 0.82 HSP90AA1 (0.68) TLR9LMNAMEN1MAPTRAB9A
SCHEMBL1115137 0.82 HSP90AA1 (0.68) TLR9LMNAMEN1MAPTRAB9A
SCHEMBL4925098 0.81 HSP90AA1 (0.56) TLR9LMNAMEN1MAPTRAB9A
SCHEMBL9810994 0.79 HSP90AA1 (0.65) TLR9LMNAMEN1MAPTRAB9A
SCHEMBL30049268 0.79 TLR9 (0.79) TLR9LMNAMEN1MAPTRAB9A
SCHEMBL987760 0.79 TLR9 (0.79) TLR9LMNAMEN1MAPTRAB9A
2-Nitrofluorene SCHEMBL644332 0.78 MAPT (0.68) TLR9LMNAMEN1MAPTRAB9A
2-Nitrofluorene SCHEMBL29450702 0.78 MAPT (0.68) TLR9LMNAMEN1MAPTRAB9A
SCHEMBL29085444 0.78 CYP1A2 (0.43) TLR9LMNAMEN1MAPTRAB9A

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-0092385-B1 HYDANTOIN DERIVATIVES FOR USE IN INHIBITING ALDOSE REDUCTASE ACTIVITY, COMPOSITIONS THEREFOR AND PROCESS FOR PREPARING SPIRO-FLUOREN COMPOUNDS ALCON LABORATORIES, INC. (US) 1991-06-12 EP disclosed
US-4540700-A Treatment of diabetic complications with certain spiro-imidazolidine-diones ALCON LABORATORIES, INC. (US) 1985-09-10 US disclosed
US-4438272-A COMPLICATIONS OF DIABETES ALCON LABORATORIES, INC. (US) 1984-03-20 US disclosed
US-4436745-A TETRACYCLIC SPIROHYDANTOINS ALCON LABORATORIES, INC. (US) 1984-03-13 US disclosed
WO-1983003543-A1 METHOD OF INHIBITING ALDOSE REDUCTASE ACTIVITY, COMPOSITIONS THEREFOR AND PROCESS FOR PREPARING SPIRO-FLUOROFLUOREN AND SPIRO-DIFLUOROFLUOREN COMPOUNDS ALCON LAB INC (US) 1983-10-27 WO disclosed
EP-0092385-A2 Hydantoin derivatives for use in inhibiting aldose reductase activity, compositions therefor and process for preparing spiro-fluoren compounds ALCON LABORATORIES, INC. (US) 1983-10-26 EP disclosed