SCHEMBL7645879

SCHEMBL7645879

Nc1ccc(NC(=S)NCc2cc(C(F)(F)F)ccc2Br)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.51
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
ALDH1A1 P00352 5/20 0.51
GAA P10253 5/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 5/20 0.48
LMNA P02545 5/20 0.48
CDK1 P06493 1/20 0.48
HPGD P15428 3/20 0.45
MYC P01106 1/20 0.44
MAX P61244 1/20 0.44
NPSR1 Q6W5P4 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PTGS1 P23219 3/20 0.43
ALOX12 P18054 1/20 0.43
BLM P54132 1/20 0.43
TDP1 Q9NUW8 4/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPKAPK2 P49137 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
SCHEMBL6816295 0.86 MEN1 (0.58) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL7645877 0.86 ALDH1A1 (0.48) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL7568351 0.78 MAPT (0.67) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL7571118 0.77 CDK1 (0.53) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL7639027 0.75 CDK1 (0.53) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL6815204 0.74 MEN1 (0.55) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL6816286 0.73 KMT2A (0.54) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL7638328 0.72 EPHX1 (0.63) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7166829 0.72 CDK1 (0.63) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL14631699 0.72 POLB (0.39) MAPTMEN1KMT2AALDH1A1GAA

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