SCHEMBL9687349

SCHEMBL9687349

CC(=O)Nc1ccc(OC(F)(F)C(F)Cl)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
ALDH1A1 P00352 5/20 0.49
TP53 P04637 1/20 0.49
NPSR1 Q6W5P4 2/20 0.49
KMT2A Q03164 7/20 0.48
MEN1 O00255 6/20 0.48
LMNA P02545 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
POLB P06746 2/20 0.46
ALDH3A1 P30838 1/20 0.46
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PKM P14618 1/20 0.44
HTT P42858 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 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
SCHEMBL9528513 0.92 MAPT (0.52) MAPTALDH1A1TP53NPSR1KMT2A
SCHEMBL9532012 0.85 MAPT (0.53) MAPTALDH1A1TP53NPSR1KMT2A
SCHEMBL3483129 0.85 KMT2A (0.56) MAPTALDH1A1TP53NPSR1KMT2A
SCHEMBL5952505 0.84 MAPT (0.57) MAPTALDH1A1TP53NPSR1KMT2A
SCHEMBL29370463 0.84 MAPT (0.57) MAPTALDH1A1TP53NPSR1KMT2A
SCHEMBL6525254 0.78 MAPT (0.62) MAPTALDH1A1NPSR1KMT2AMEN1
SCHEMBL7045956 0.77 KMT2A (0.53) MAPTNPSR1KMT2AMEN1L3MBTL1
SCHEMBL11003186 0.77 KMT2A (0.53) MAPTALDH1A1TP53NPSR1KMT2A
SCHEMBL8784838 0.77 RAB9A (0.69) MAPTALDH1A1TP53KMT2AMEN1
SCHEMBL6331746 0.76 MAPT (0.43) MAPTALDH1A1TP53KMT2AMEN1

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
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
EP-0201575-A1 NEW PICOLINE DERIVATIVES, PREPARATION PROCESS THEREOF, UTILIZATION THEREOF AND DRUGS CONTAINING THEM. BYK GULDEN LOMBERG CHEM FAB (DE) 1986-11-20 EP disclosed
WO-1986002646-A1 NEW PICOLINE DERIVATIVES, PREPARATION PROCESS THEREOF, UTILIZATION THEREOF AND DRUGS CONTAINING THEM BYK GULDEN LOMBERG CHEMISCHE FABRIK GESELLSCHAFT M (DE) 1986-05-09 WO disclosed