SCHEMBL9811059

SCHEMBL9811059

O=[N+]([O-])c1ccc2c(c1)Cc1ccc(F)cc1-2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 2/20 0.62
MEN1 O00255 1/20 0.62
LMNA P02545 1/20 0.62
MAPT P10636 1/20 0.62
RAB9A P51151 1/20 0.62
KMT2A Q03164 1/20 0.62
TDP2 O95551 1/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
PGR P06401 2/20 0.50
HSP90AA1 P07900 1/20 0.48
PNMT P11086 4/20 0.43
ADRA2A P08913 2/20 0.43
PTPRC P08575 1/20 0.43
S100A4 P26447 1/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
PARP1 P09874 1/20 0.43

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
SCHEMBL572390 0.93 TLR9 (0.66) TLR9MEN1LMNAMAPTRAB9A
SCHEMBL987760 0.86 TLR9 (0.79) TLR9MEN1LMNAMAPTRAB9A
SCHEMBL30049268 0.86 TLR9 (0.79) TLR9MEN1LMNAMAPTRAB9A
2-Nitrofluorene SCHEMBL644332 0.81 MAPT (0.68) TLR9MEN1LMNAMAPTRAB9A
2-Nitrofluorene SCHEMBL29450702 0.81 MAPT (0.68) TLR9MEN1LMNAMAPTRAB9A
SCHEMBL8088143 0.81 TLR9 (0.62) TLR9MEN1LMNAMAPTRAB9A
SCHEMBL5030144 0.80 TLR9 (0.66) TLR9MEN1LMNAMAPTRAB9A
SCHEMBL9811056 0.78 PGR (0.49) LMNAMAPTRAB9ATDP2PGR
SCHEMBL7618863 0.78 MAPT (0.58) TLR9MEN1LMNAMAPTRAB9A
2-Nitrofluorene SCHEMBL28186600 0.77 MAPT (0.62) TLR9MEN1LMNAMAPTRAB9A

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