SCHEMBL7404397

SCHEMBL7404397

COC(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
COMT P21964 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 7/20 0.37
CYP3A4 P08684 1/20 0.37
KDM4E B2RXH2 4/20 0.37
POLB P06746 1/20 0.37
PDGFRB P09619 1/20 0.36
FGFR1 P11362 1/20 0.36
PDGFRA P16234 1/20 0.36
FLT1 P17948 1/20 0.36
FGFR3 P22607 1/20 0.36
KDR P35968 1/20 0.36
MAPT P10636 3/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 2/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 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
SCHEMBL31056505 0.84 SMN1; SMN2 (0.50) COMTSMN1; SMN2ALDH1A1KDM4EPOLB
SCHEMBL22367839 0.84 GRIN2D (0.40) GAACOMTSMN1; SMN2ALDH1A1PDGFRB
SCHEMBL7407394 0.83 GAA (0.46) GAACOMTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL7405341 0.80 GAA (0.46) GAAALDH1A1KDM4EPOLBMAPT
SCHEMBL7409820 0.80 SMN1; SMN2 (0.40) GAACOMTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL1457871 0.79 GAA (0.44) GAASMN1; SMN2ALDH1A1CYP3A4KDM4E
SCHEMBL28740427 0.79 SMN1; SMN2 (0.41) GAACOMTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL31156079 0.78 SMN1; SMN2 (0.41) GAACOMTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL28418045 0.77 SOS1 (0.44) GAACOMTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL11430270 0.77 ALDH1A1 (0.54) GAASMN1; SMN2ALDH1A1CYP3A4KDM4E

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-4935511-A Nervous system, gastrointestinal disorders RORER PHARMACEUTICAL CORPORATION (US) 1990-06-19 US disclosed