SCHEMBL7737829

SCHEMBL7737829

Cc1cccc(C(C)NC(=S)Nc2ccc(NC(=O)c3cscn3)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.44
KCNH2 Q12809 1/20 0.44
KCNB1 Q14721 1/20 0.44
GRM4 Q14833 2/20 0.43
GRM1 Q13255 1/20 0.42
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
CYP2C9 P11712 3/20 0.41
KDR P35968 2/20 0.41
CYP2C8 P10632 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
QPCT Q16769 1/20 0.40
F2 P00734 1/20 0.40
F7 P08709 1/20 0.40
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 3/20 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
SCHEMBL7743472 0.89 BAZ1A (0.45) GRM4GRM1CYP2C9KDRCYP2C8
SCHEMBL7743962 0.89 F7 (0.46) GRM4GRM1CYP2C9KDRCYP2C8
SCHEMBL27577703 0.86 GRM4 (0.40) GRM4GRM1CYP2C9KDRCYP2C8
SCHEMBL7737911 0.84 MEN1 (0.44) GRM4GRM1CYP2C9KDRCYP2C8
SCHEMBL7743904 0.84 ALDH1A1 (0.46) GRM4GRM1SMN1; SMN2F7ALDH1A1
SCHEMBL7743318 0.84 MEN1 (0.41) GRM4GRM1CYP2C9KDRCYP2C8
SCHEMBL7743468 0.84 GRM4 (0.41) GRM4GRM1KDRSMN1; SMN2QPCT
SCHEMBL7743960 0.82 KMT2A (0.44) GRM4GRM1KDRSMN1; SMN2ALDH1A1
SCHEMBL7743937 0.82 POLB (0.42) GRM4GRM1SMN1; SMN2ALDH1A1MEN1
SCHEMBL28408077 0.81 KCNB1 (0.71) KCNA5KCNH2KCNB1GRM4

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