SCHEMBL28107243

SCHEMBL28107243

O=[N+]([O-])c1ccc(F)cc1O.[KH]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.62
ATM Q13315 1/20 0.62
GPR35 Q9HC97 3/20 0.60
TTR P02766 2/20 0.49
HPGD P15428 3/20 0.48
CYP3A4 P08684 2/20 0.48
TP53 P04637 2/20 0.48
TSHR P16473 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HIF1A Q16665 1/20 0.48
KCNMA1 Q12791 1/20 0.47
MAPT P10636 4/20 0.46
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 2/20 0.46
POLB P06746 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
RECQL P46063 1/20 0.46

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
SCHEMBL29486360 0.98 TDP1 (0.64) TDP1ATMGPR35TTRHPGD
SCHEMBL39862 0.98 TDP1 (0.64) TDP1ATMGPR35TTRHPGD
SCHEMBL28661794 0.96 TDP1 (0.62) TDP1ATMGPR35TTRHPGD
SCHEMBL29087916 0.88 TDP1 (0.53) TDP1ATMGPR35TTRHPGD
SCHEMBL8815813 0.86 TDP1 (0.51) TDP1ATMGPR35TTRHPGD
SCHEMBL28287904 0.84 MAPK1 (0.60) TDP1ATMGPR35TTRHPGD
SCHEMBL5495526 0.84 ALDH1A1 (0.51) TDP1ATMGPR35TTRMAPT
SCHEMBL229093 0.82 MAPK1 (0.62) TDP1ATMGPR35TTRHPGD
SCHEMBL29745239 0.79 TDP1 (0.72) TDP1ATMGPR35TTRHPGD
SCHEMBL216553 0.79 TDP1 (0.72) TDP1ATMGPR35TTRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106045861-A Method and system for continuously producing 5-fluoro-2-nitrophenol 山东润博生物科技有限公司 2016-10-26 CN claimed
CN-113045424-B Synthesis method of 2- (5-fluoro-2-nitrophenoxy) acetate compound 利尔化学股份有限公司 2024-01-26 CN disclosed
CN-113045424-A Synthetic method of 2- (5-fluoro-2-nitrophenoxy) acetate compound 利尔化学股份有限公司 2021-06-29 CN disclosed
CN-106045861-A Method and system for continuously producing 5-fluoro-2-nitrophenol 山东润博生物科技有限公司 2016-10-26 CN disclosed