SCHEMBL7904777

SCHEMBL7904777

FC(F)(F)c1cc(NC(=S)NCC2=CC[CH]C=C2)ccc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.59
KDR P35968 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 6/20 0.44
MAPK1 P28482 1/20 0.44
KCNJ5 P48544 1/20 0.42
KCNJ3 P48549 1/20 0.42
PDK1 Q15118 1/20 0.42
TP53 P04637 2/20 0.41
ALDH1A1 P00352 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
GAA P10253 1/20 0.40
RAF1 P04049 1/20 0.39
MAPK3 P27361 1/20 0.39
MEN1 O00255 2/20 0.39
HTT P42858 2/20 0.39

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
SCHEMBL7656269 0.79 MYC (0.54) LMNANPSR1SMN1; SMN2MAPTALDH1A1
SCHEMBL4555026 0.75 LMNA (0.75) LMNAKDRNPSR1SMN1; SMN2MAPT
SCHEMBL6816290 0.74 LMNA (0.65) LMNAKDRNPSR1SMN1; SMN2MAPT
SCHEMBL4555072 0.71 LMNA (0.69) LMNAKDRNPSR1SMN1; SMN2MAPT
SCHEMBL4555515 0.70 LMNA (0.68) LMNAKDRNPSR1MAPTPDK1
SCHEMBL6816279 0.70 LMNA (0.60) LMNAKDRNPSR1MAPTMAPK1
SCHEMBL29494977 0.69 LMNA (0.66) LMNAKDRNPSR1SMN1; SMN2MAPT
SCHEMBL22092638 0.69 LMNA (0.66) LMNAKDRNPSR1SMN1; SMN2MAPT
SCHEMBL6815784 0.68 LMNA (0.64) LMNAKDRNPSR1MAPTPDK1
SCHEMBL18196961 0.68 LMNA (0.64) LMNAKDRNPSR1MAPTPDK1

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-6207715-B1 USEFUL IN THERAPY OF DISEASES ASSOCIATED WITH HERPES VIRUSES INCLUDING HUMAN CYTOMEGALOVIRUS, HERPES SIMPLEX VIRUSES, EPSTEIN-BARR VIRUS, VARICELLA-ZOSTER VIRUS, HUMAN HERPESVIRUSES-6 AND -7, AND KAPOSI HERPES VIRUS AMERICAN HOME PRODUCTS CORPORATION 2001-03-27 US disclosed