SCHEMBL7645877

SCHEMBL7645877

NC(=O)c1ccc(NC(=S)NCc2cc(C(F)(F)F)ccc2Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
GAA P10253 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 6/20 0.47
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
LMNA P02545 4/20 0.45
HTT P42858 4/20 0.45
CDK1 P06493 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NPSR1 Q6W5P4 3/20 0.44
XBP1 P17861 1/20 0.44
HDAC1 Q13547 1/20 0.43
P2RY14 Q15391 1/20 0.43
HPGD P15428 2/20 0.42
EPHX1 P07099 1/20 0.42
MYC P01106 1/20 0.41
MAX P61244 1/20 0.41
MTOR P42345 1/20 0.40

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
SCHEMBL6816286 0.88 KMT2A (0.54) ALDH1A1SMN1; SMN2GAAKDM4EMAPT
SCHEMBL7645879 0.86 MAPT (0.51) ALDH1A1SMN1; SMN2GAAKDM4EMAPT
SCHEMBL6816304 0.80 MTOR (0.59) ALDH1A1SMN1; SMN2GAAKDM4EMAPT
SCHEMBL7568344 0.80 MEN1 (0.61) ALDH1A1SMN1; SMN2GAAKDM4EMAPT
SCHEMBL7571106 0.79 MEN1 (0.52) ALDH1A1SMN1; SMN2GAAKDM4EMAPT
SCHEMBL7599105 0.77 CDK1 (0.49) ALDH1A1SMN1; SMN2GAAKDM4EMAPT
SCHEMBL7645878 0.77 MAOB (0.36) MAPTKMT2ALMNAL3MBTL1NPSR1
SCHEMBL7639021 0.77 MEN1 (0.52) ALDH1A1SMN1; SMN2GAAKDM4EMAPT
SCHEMBL6815197 0.76 NAMPT (0.53) ALDH1A1SMN1; SMN2GAAKDM4EMAPT
SCHEMBL6816259 0.75 MYC (0.68) ALDH1A1SMN1; SMN2GAAKDM4EMAPT

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
US-6462055-B2 VIRICIDES WYETH 2002-10-08 US disclosed