SCHEMBL8700206

SCHEMBL8700206

CCOC(=O)Nc1cc(F)c([N+](=O)[O-])cc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
SMN1; SMN2 Q16637 5/20 0.47
HPGD P15428 2/20 0.47
GALR2 O43603 1/20 0.47
MITF O75030 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
HSP90AA1 P07900 1/20 0.47
XBP1 P17861 1/20 0.47
CCR6 P51684 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
MAPT P10636 6/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 1/20 0.43
PKM P14618 2/20 0.43
RECQL P46063 2/20 0.42
GPR174 Q9BXC1 1/20 0.42

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
SCHEMBL7013091 0.94 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2HPGDGALR2MITF
SCHEMBL8700093 0.83 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2HPGDGALR2MITF
SCHEMBL8695291 0.82 HCAR3 (0.47) ALDH1A1SMN1; SMN2HPGDGALR2MITF
SCHEMBL25095983 0.81 CYP17A1 (0.44) ALDH1A1SMN1; SMN2LMNAMAPTKMT2A
SCHEMBL7576322 0.80 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2LMNANPSR1CYP1A2
SCHEMBL9123407 0.80 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2LMNAPOLBMAPT
SCHEMBL30748250 0.79 NPSR1 (0.50) ALDH1A1SMN1; SMN2HPGDGALR2MITF
SCHEMBL3251790 0.79 NPSR1 (0.50) ALDH1A1SMN1; SMN2HPGDGALR2MITF
SCHEMBL9843482 0.78 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2HPGDGALR2MITF
SCHEMBL7585822 0.77 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2HPGDGALR2MITF

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
WO-1998018768-A1 HERBICIDAL 3-(BICYCLIC NITROGEN-CONTAINING HETEROCYCLE)-SUBSTITUTED-1-METHYL-6-TRIFLUOROMETHYLURACILS FMC CORPORATION (US) 1998-05-07 WO disclosed
US-5661108-A CONTROLLING PLANT GROWTH FMC CORPORATION (US) 1997-08-26 US disclosed