SCHEMBL8902175

SCHEMBL8902175

COC(=O)c1cc([N+](=O)[O-])c(OC)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.51
PDGFRB P09619 1/20 0.50
FGFR1 P11362 1/20 0.50
PDGFRA P16234 1/20 0.50
FLT1 P17948 1/20 0.50
FGFR3 P22607 1/20 0.50
KDR P35968 1/20 0.50
GAA P10253 1/20 0.47
ALDH1A1 P00352 6/20 0.46
HTT P42858 2/20 0.46
POLB P06746 1/20 0.46
LMNA P02545 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL31305210 0.92 PDGFRB (0.51) CHEK1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL2899450 0.90 POLB (0.52) CHEK1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL14993998 0.87 PDGFRB (0.62) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL12108924 0.87 PDGFRB (0.55) CHEK1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL30837492 0.87 PDGFRB (0.55) CHEK1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL31430540 0.87 PDGFRB (0.48) CHEK1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL8900774 0.86 PDGFRB (0.45) CHEK1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL4854781 0.86 GAA (0.59) CHEK1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL17560534 0.86 POLB (0.48) CHEK1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL21834530 0.86 PDGFRB (0.47) CHEK1PDGFRBFGFR1PDGFRAFLT1

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
US-5686482-A DOPAMINE RECEPTOR ANTAGONIST YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1997-11-11 US disclosed
EP-0757985-A1 N-(3-PYRROLIDINYL)BENZAMIDE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1997-02-12 EP disclosed