SCHEMBL7743468

SCHEMBL7743468

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 3/20 0.41
ALDH1A1 P00352 3/20 0.40
LMNA P02545 3/20 0.40
POLB P06746 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
GRM1 Q13255 1/20 0.38
ROCK2 O75116 1/20 0.36
KDR P35968 1/20 0.36
GRM5 P41594 1/20 0.36
QPCT Q16769 3/20 0.36

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
SCHEMBL7743962 0.87 F7 (0.46) GRM4ALDH1A1LMNAPOLBMEN1
SCHEMBL7743904 0.87 ALDH1A1 (0.46) GRM4ALDH1A1LMNAPOLBMEN1
SCHEMBL7743318 0.86 MEN1 (0.41) GRM4ALDH1A1LMNAPOLBMEN1
SCHEMBL7743960 0.84 KMT2A (0.44) GRM4ALDH1A1LMNAPOLBMEN1
SCHEMBL7743937 0.84 POLB (0.42) GRM4ALDH1A1LMNAPOLBMEN1
SCHEMBL7737829 0.84 KCNA5 (0.44) GRM4ALDH1A1LMNAPOLBMEN1
SCHEMBL7744024 0.83 HTT (0.47) GRM4ALDH1A1LMNAPOLBMEN1
SCHEMBL7743472 0.83 BAZ1A (0.45) GRM4LMNAPOLBMEN1KMT2A
SCHEMBL7743927 0.82 MEN1 (0.42) GRM4ALDH1A1LMNAPOLBMEN1
SCHEMBL7743331 0.82 GRM4 (0.47) GRM4LMNAPOLBMEN1KMT2A

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