SCHEMBL7743962

SCHEMBL7743962

CC(NC(=S)Nc1ccc(NC(=O)c2cscn2)cc1)c1cccc(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 6/20 0.46
F2 P00734 1/20 0.46
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
GRM4 Q14833 2/20 0.42
GRM1 Q13255 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDR P35968 1/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C8 P10632 1/20 0.40
QPCT Q16769 1/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 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
SCHEMBL7078783 0.91 RAB9A (0.40) F7F2NPC1RAB9ASMN1; SMN2
SCHEMBL7737829 0.89 KCNA5 (0.44) F7F2NPC1RAB9ASMN1; SMN2
SCHEMBL7743472 0.88 BAZ1A (0.45) SMN1; SMN2GRM4GRM1KDRCYP2C9
SCHEMBL7743468 0.87 GRM4 (0.41) NPC1RAB9ASMN1; SMN2GRM4GRM1
SCHEMBL27577703 0.85 GRM4 (0.40) F7F2GRM4GRM1KDR
SCHEMBL7743904 0.84 ALDH1A1 (0.46) F7NPC1RAB9ASMN1; SMN2GRM4
SCHEMBL7743905 0.83 KMT2A (0.42) NPC1RAB9ASMN1; SMN2GRM4GRM1
SCHEMBL7743318 0.83 MEN1 (0.41) NPC1RAB9ASMN1; SMN2GRM4GRM1
SCHEMBL7744024 0.82 HTT (0.47) NPC1RAB9ASMN1; SMN2GRM4GRM1
SCHEMBL7743937 0.81 POLB (0.42) NPC1RAB9ASMN1; SMN2GRM4GRM1

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 11 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
CN-1348446-A Heterocyclic carboxamide-containing thiourea inhibitors of herpes viruses containing phenylenediamine groups AMERICAN HOME PROD (US) 2002-05-08 CN 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
CN-1348446-A Heterocyclic carboxamide-containing thiourea inhibitors of herpes viruses containing phenylenediamine groups AMERICAN HOME PROD (US) 2002-05-08 CN 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