SCHEMBL7743318

SCHEMBL7743318

CC(NC(=S)Nc1ccc(NC(=O)c2cscn2)cc1)c1ccc(F)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
GRM4 Q14833 2/20 0.41
BRAF P15056 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 3/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
GRM1 Q13255 1/20 0.38
MAPK1 P28482 1/20 0.38
BACE1 P56817 1/20 0.38
KDR P35968 1/20 0.37
GPR139 Q6DWJ6 1/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL7743937 0.92 POLB (0.42) MEN1KMT2APOLBLMNAMAPT
SCHEMBL7743960 0.92 KMT2A (0.44) MEN1KMT2APOLBLMNAMAPT
SCHEMBL7743331 0.89 GRM4 (0.47) MEN1KMT2APOLBLMNAMAPT
SCHEMBL7745943 0.89 PDE2A (0.46) MEN1KMT2AGRM4BRAFKDR
SCHEMBL7743472 0.87 BAZ1A (0.45) MEN1KMT2APOLBLMNAMAPT
SCHEMBL7743904 0.87 ALDH1A1 (0.46) MEN1KMT2APOLBLMNAMAPT
SCHEMBL7743468 0.86 GRM4 (0.41) MEN1KMT2APOLBLMNAMAPT
SCHEMBL7743494 0.85 MEN1 (0.53) MEN1KMT2APOLBLMNAMAPT
SCHEMBL7743347 0.84 MEN1 (0.43) MEN1KMT2APOLBLMNAMAPT
SCHEMBL7737829 0.84 KCNA5 (0.44) MEN1KMT2APOLBLMNAMAPT

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 9 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 claimed
EP-1144397-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-17 EP claimed
US-6197803-B1 VIRICIDES; PREVENTION REPRODUCTION AMERICAN HOME PRODUCTS CORPORATION 2001-03-06 US claimed
WO-2000034258-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO claimed
EP-1144397-A3 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP Wyeth (US) 2002-09-11 EP disclosed
US-6426355-B1 VIRICIDES; PREVENTION PRODUCTION AMERICAN HOME PRODUCTS 2002-07-30 US 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
US-6197803-B1 VIRICIDES; PREVENTION REPRODUCTION AMERICAN HOME PRODUCTS CORPORATION 2001-03-06 US 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