SCHEMBL4058639

SCHEMBL4058639

O=C(O)NCCCn1cccc(C(F)(F)F)c1=O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
RXFP1 Q9HBX9 3/20 0.46
POLB P06746 1/20 0.46
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
TP53 P04637 3/20 0.38
LIPG Q9Y5X9 2/20 0.38
CCR3 P51677 1/20 0.38
RAB9A P51151 1/20 0.37
AR P10275 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CNR2 P34972 2/20 0.36
CNR1 P21554 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
SCHEMBL3388119 0.83 DRD2 (0.44) MAPTPOLBKDM4EGAADRD2
SCHEMBL13460189 0.82 MAPT (0.48) MAPTRXFP1POLBKDM4EGAA
SCHEMBL3388058 0.77 MAPT (0.48) MAPTRXFP1POLBKDM4ESMN1; SMN2
SCHEMBL1997416 0.76 MAPT (0.50) MAPTRXFP1POLBKDM4ESMN1; SMN2
SCHEMBL4591850 0.75 MAPT (0.63) MAPTRXFP1POLBKDM4ESMN1; SMN2
SCHEMBL17848670 0.73 MAPT (0.50) MAPTRXFP1POLBKDM4ESMN1; SMN2
SCHEMBL20224820 0.73 MAPT (0.54) MAPTRXFP1POLBKDM4ESMN1; SMN2
SCHEMBL12530648 0.72 KDM4E (0.51) MAPTRXFP1POLBKDM4ESMN1; SMN2
SCHEMBL27739333 0.71 MAPT (0.49) MAPTRXFP1POLBKDM4EGAA
SCHEMBL26817055 0.71 MAPT (0.54) MAPTRXFP1POLBKDM4ESMN1; SMN2

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-2009122180-A1 PYRIMIDINE DERIVATIVES CAPABLE OF INHIBITING ONE OR MORE KINASES MEDICAL RESEARCH COUNCIL (GB) 2009-10-08 WO disclosed