SCHEMBL7976510

SCHEMBL7976510

COC(=O)Cc1cc([N+](=O)[O-])c(OC)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44
ALDH1A1 P00352 5/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 2/20 0.42
NQO2 P16083 1/20 0.42
PKM P14618 1/20 0.42
USP2 O75604 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL7975215 0.89 PDGFRB (0.50) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL7978442 0.87 CYP1A2 (0.46) MTNR1AMTNR1BALDH1A1NPC1RAB9A
SCHEMBL7978437 0.87 CYP1A2 (0.46) MTNR1AMTNR1BALDH1A1NPC1RAB9A
SCHEMBL7976503 0.87 PDGFRB (0.53) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL7975226 0.87 PDGFRB (0.53) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL7976613 0.84 PDGFRB (0.51) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL5208919 0.82 TTR (0.45) MTNR1AMTNR1BALDH1A1NPC1RAB9A
SCHEMBL14915804 0.82 PDGFRB (0.62) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL29785305 0.82 ALDH1A1 (0.43) ALDH1A1GAAPKMMEN1MAPT
SCHEMBL309725 0.82 ALDH1A1 (0.43) ALDH1A1GAAPKMMEN1MAPT

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
WO-2001055138-A1 AZOLE DERIVATIVES, THEIR PREPARATION AND USE SYNGENTA LIMITED (GB) 2001-08-02 WO disclosed