SCHEMBL5259073

SCHEMBL5259073

O=C(O)C1C(=O)Nc2ccc(F)cc21

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
HTR7 P34969 3/20 0.40
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
ADRA1A P35348 1/20 0.40
HTR6 P50406 1/20 0.40
KMT2A Q03164 7/20 0.40
TP53 P04637 1/20 0.39
MEN1 O00255 6/20 0.39
TGM2 P21980 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 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
SCHEMBL5739849 0.81 MAPT (0.44) MAPTHTR7DRD2DRD1HTR2A
SCHEMBL4850477 0.81 MAPT (0.44) MAPTHTR7DRD2DRD1HTR2A
SCHEMBL10545893 0.79 TP53 (0.47) MAPTHTR7DRD2DRD1HTR2A
SCHEMBL8138050 0.76 HTR7 (0.48) HTR7DRD2DRD1HTR2AHTR2C
SCHEMBL8841799 0.76 JAK3 (0.41) MAPTKMT2ATP53MEN1ALDH1A1
SCHEMBL8842076 0.76 MAPT (0.40) MAPTKMT2AMEN1ALDH1A1
SCHEMBL1461839 0.75 MAPT (0.56) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL24112727 0.74 PGR (0.53) HTR7DRD2DRD1HTR2AHTR2C
SCHEMBL2263637 0.74 PGR (0.53) HTR7DRD2DRD1HTR2AHTR2C
SCHEMBL3912643 0.73 ALDH1A1 (0.63) MAPTKMT2ATP53MEN1ALDH1A1

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-7342040-B2 5-fluorooxindole-3-carboxylic acid ester UBE INDUSTRIES, LTD. (JP) 2008-03-11 US disclosed
EP-1592426-B1 2-CYANOPYRROLOPYRIMIDINES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2007-12-19 EP disclosed