SCHEMBL11005202

SCHEMBL11005202

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
NPSR1 Q6W5P4 3/20 0.44
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 2/20 0.44
GALR2 O43603 1/20 0.44
MITF O75030 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HPGD P15428 1/20 0.44
XBP1 P17861 1/20 0.44
CCR6 P51684 1/20 0.44
KMT2A Q03164 3/20 0.43
MAPT P10636 3/20 0.41
HTT P42858 3/20 0.40
GAA P10253 1/20 0.37
PKM P14618 2/20 0.36
MEN1 O00255 2/20 0.36
CYP19A1 P11511 1/20 0.36
RAB9A P51151 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL9527822 0.88 NPSR1 (0.45) ALDH1A1NPSR1POLBSMN1; SMN2LMNA
SCHEMBL11005183 0.82 ALDH1A1 (0.45) ALDH1A1NPSR1POLBSMN1; SMN2LMNA
SCHEMBL1646147 0.81 MAPT (0.48) ALDH1A1NPSR1POLBSMN1; SMN2LMNA
SCHEMBL9527341 0.78 LMNA (0.48) ALDH1A1NPSR1POLBSMN1; SMN2LMNA
SCHEMBL23389131 0.78 NPSR1 (0.45) ALDH1A1NPSR1POLBSMN1; SMN2LMNA
SCHEMBL1425030 0.77 MAPT (0.55) ALDH1A1NPSR1POLBSMN1; SMN2LMNA
SCHEMBL11005161 0.77 NPSR1 (0.44) ALDH1A1NPSR1POLBSMN1; SMN2LMNA
SCHEMBL9232481 0.76 MAPT (0.54) ALDH1A1NPSR1POLBSMN1; SMN2LMNA
SCHEMBL4652737 0.76 MAPT (0.54) ALDH1A1NPSR1POLBSMN1; SMN2LMNA
SCHEMBL9687916 0.75 LMNA (0.48) ALDH1A1NPSR1POLBSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4555518-A ANTIULCER AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1985-11-26 US disclosed