SCHEMBL7785137

SCHEMBL7785137

C[S+]([O-])c1ccccc1C(=O)Nc1ccc(N)cc1.N#Cc1cc(NC(=O)c2ccccc2F)ccc1N.O=C(O)c1ccco1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
TDP1 Q9NUW8 2/20 0.44
MAPT P10636 6/20 0.42
GAA P10253 2/20 0.42
RAB9A P51151 6/20 0.40
NPC1 O15118 5/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40
CASP1 P29466 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LCLAT1 Q6UWP7 2/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
ESR1 P03372 1/20 0.35
TP53 P04637 1/20 0.35
ESR2 Q92731 1/20 0.35
EGFR P00533 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35

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
SCHEMBL6816640 0.77 MEN1 (0.59) MEN1KMT2ATDP1MAPTRAB9A
SCHEMBL7666015 0.75 GFER (0.47) MEN1KMT2ATDP1MAPTGAA
SCHEMBL7783833 0.74 ALDH1A1 (0.46) MEN1KMT2ATDP1MAPTGAA
SCHEMBL7078679 0.74 FADS1 (0.55) MEN1KMT2ATDP1MAPTRAB9A
SCHEMBL7717504 0.72 RAB9A (0.58) MEN1KMT2AMAPTGAARAB9A
SCHEMBL6816336 0.72 KMT2A (0.47) MEN1KMT2ATDP1MAPTRAB9A
SCHEMBL7785382 0.71 KMT2A (0.63) MEN1KMT2ATDP1MAPTGAA
SCHEMBL7567776 0.70 MEN1 (0.50) MEN1KMT2ATDP1MAPTGAA
SCHEMBL7783831 0.68 ALDH1A1 (0.44) MEN1KMT2AMAPTGAARAB9A
SCHEMBL7567771 0.68 MEN1 (0.48) MEN1KMT2ATDP1MAPTGAA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144397-A3 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP Wyeth (US) 2002-09-11 EP disclosed
EP-1144397-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-17 EP disclosed
EP-1140913-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-10 EP disclosed
WO-2000034269-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034258-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed