SCHEMBL9687916

SCHEMBL9687916

CC(=O)Nc1cc(C)c(OC(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
NPSR1 Q6W5P4 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
POLB P06746 2/20 0.48
XBP1 P17861 2/20 0.48
CCR6 P51684 2/20 0.48
GALR2 O43603 1/20 0.48
MITF O75030 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HSP90AA1 P07900 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 3/20 0.46
MAPT P10636 5/20 0.45
RECQL P46063 1/20 0.43
HTT P42858 5/20 0.43
MEN1 O00255 2/20 0.42
MAPK1 P28482 1/20 0.42
PKM P14618 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
TP53 P04637 1/20 0.39

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
SCHEMBL9527341 0.91 LMNA (0.48) LMNANPSR1SMN1; SMN2POLBXBP1
SCHEMBL9527822 0.87 NPSR1 (0.45) LMNANPSR1SMN1; SMN2POLBXBP1
SCHEMBL9528380 0.86 LMNA (0.44) LMNANPSR1SMN1; SMN2POLBXBP1
SCHEMBL1973802 0.84 NPSR1 (0.48) LMNANPSR1SMN1; SMN2POLBXBP1
SCHEMBL5953169 0.83 KMT2A (0.50) LMNANPSR1SMN1; SMN2POLBXBP1
SCHEMBL14903460 0.80 RECQL (0.57) LMNANPSR1SMN1; SMN2POLBXBP1
SCHEMBL29725300 0.80 RECQL (0.57) LMNANPSR1SMN1; SMN2POLBXBP1
SCHEMBL11641588 0.79 POLB (0.46) LMNANPSR1SMN1; SMN2POLBXBP1
SCHEMBL9674890 0.79 ALDH1A1 (0.52) LMNANPSR1SMN1; SMN2POLBXBP1
SCHEMBL29370463 0.78 MAPT (0.57) LMNANPSR1SMN1; SMN2POLBALDH1A1

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-0201575-B1 NEW PICOLINE DERIVATIVES, PREPARATION PROCESS THEREOF, UTILIZATION THEREOF AND DRUGS CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1992-08-12 EP disclosed
US-4686230-A Picoline derivative useful as gastric acid secretion inhibitors BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1987-08-11 US disclosed