SCHEMBL11005183

SCHEMBL11005183

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
POLB P06746 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GALR2 O43603 1/20 0.45
MITF O75030 1/20 0.45
LMNA P02545 1/20 0.45
HSP90AA1 P07900 1/20 0.45
HPGD P15428 1/20 0.45
XBP1 P17861 1/20 0.45
CCR6 P51684 1/20 0.45
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.42
HTT P42858 3/20 0.40
CYP19A1 P11511 1/20 0.39
MYC P01106 1/20 0.38
MAX P61244 1/20 0.38
AR P10275 1/20 0.38
PELP1 Q8IZL8 1/20 0.38
EGFR P00533 1/20 0.37

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 0.84 NPSR1 (0.45) ALDH1A1NPSR1POLBSMN1; SMN2GALR2
SCHEMBL11005202 0.82 ALDH1A1 (0.44) ALDH1A1NPSR1POLBSMN1; SMN2GALR2
SCHEMBL1646147 0.82 MAPT (0.48) ALDH1A1NPSR1POLBSMN1; SMN2GALR2
SCHEMBL11003186 0.79 KMT2A (0.53) ALDH1A1NPSR1POLBSMN1; SMN2KMT2A
SCHEMBL23389131 0.79 NPSR1 (0.45) ALDH1A1NPSR1POLBSMN1; SMN2GALR2
SCHEMBL1425030 0.78 MAPT (0.55) ALDH1A1NPSR1POLBSMN1; SMN2GALR2
SCHEMBL11005161 0.78 NPSR1 (0.44) ALDH1A1NPSR1POLBSMN1; SMN2GALR2
SCHEMBL9232481 0.77 MAPT (0.54) ALDH1A1NPSR1POLBSMN1; SMN2GALR2
SCHEMBL4652737 0.77 MAPT (0.54) ALDH1A1NPSR1POLBSMN1; SMN2GALR2
SCHEMBL9527341 0.77 LMNA (0.48) ALDH1A1NPSR1POLBSMN1; SMN2GALR2

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