SCHEMBL4591050

SCHEMBL4591050

O=C(N1CC(CO)c2c1cc([N+](=O)[O-])c1ccccc21)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 2/20 0.38
KIT P10721 2/20 0.38
FLT1 P17948 2/20 0.38
KDR P35968 2/20 0.38
ABL2 P42684 2/20 0.38
FLT4 P35916 1/20 0.38
MAPT P10636 5/20 0.34
HPGD P15428 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CTSB P07858 4/20 0.33
AR P10275 3/20 0.33
LMNA P02545 3/20 0.33
ATM Q13315 1/20 0.33
HPRT1 P00492 1/20 0.33
ENPP2 Q13822 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPK1 P28482 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL3564653 0.90 ADH1A (0.49) ADH1AKITFLT1KDRABL2
SCHEMBL4590751 0.82 ADH1A (0.36) ADH1AKITFLT1KDRABL2
SCHEMBL3565156 0.77 ADH1A (0.36) ADH1AKITFLT1KDRABL2
SCHEMBL3566213 0.77 ADH1A (0.38) ADH1AKITFLT1KDRABL2
SCHEMBL3885928 0.77 ADH1A (0.38) ADH1AKITFLT1KDRABL2
SCHEMBL3555079 0.76 CA2 (0.42) ADH1AKITFLT1KDRABL2
SCHEMBL3562214 0.76 CA2 (0.42) ADH1AKITFLT1KDRABL2
SCHEMBL3846849 0.76 ADH1A (0.39) ADH1AKITFLT1KDRABL2
SCHEMBL3555601 0.76 ADH1A (0.39) ADH1AKITFLT1KDRABL2
SCHEMBL3566195 0.76 ADH1A (0.39) ADH1AKITFLT1KDRABL2

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-2008039087-A2 INDOLINE DERIVATIVES AND USES THEREOF AUCKLAND UNISERVICES LIMITED (NZ) 2008-04-03 WO disclosed