SCHEMBL7685333

SCHEMBL7685333

O=C(Nc1ccc(NC(=S)Nc2cccc(I)c2)cc1)c1csnn1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.61
MAPT P10636 7/20 0.60
ALDH1A1 P00352 7/20 0.60
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
LMNA P02545 3/20 0.56
TP53 P04637 4/20 0.53
KDR P35968 2/20 0.53
HPGD P15428 2/20 0.53
NPC1 O15118 1/20 0.53
POLB P06746 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL6815847 0.86 THRB (0.82) THRBMAPTALDH1A1MEN1KMT2A
SCHEMBL6814682 0.86 ALDH1A1 (0.79) THRBMAPTALDH1A1MEN1KMT2A
SCHEMBL6811250 0.85 LMNA (0.76) THRBMAPTALDH1A1MEN1KMT2A
SCHEMBL6819483 0.85 THRB (0.61) THRBMAPTALDH1A1MEN1KMT2A
SCHEMBL6815505 0.85 THRB (0.61) THRBMAPTALDH1A1MEN1KMT2A
SCHEMBL6810928 0.85 THRB (0.61) THRBMAPTALDH1A1MEN1KMT2A
SCHEMBL6815727 0.85 THRB (0.61) THRBMAPTALDH1A1MEN1KMT2A
SCHEMBL6815963 0.84 TP53 (0.59) THRBMAPTALDH1A1MEN1KMT2A
SCHEMBL6814879 0.84 MAPT (0.50) THRBMAPTALDH1A1MEN1KMT2A
SCHEMBL6815004 0.83 THRB (0.58) THRBMAPTALDH1A1MEN1KMT2A

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 6 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
WO-2000034258-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO claimed
US-6426355-B1 VIRICIDES; PREVENTION PRODUCTION AMERICAN HOME PRODUCTS 2002-07-30 US disclosed
US-6335350-B1 VARICELLA-ZOSTER, HUMAN CYTOMEGALO, EPSTEIN-BARR AND KAPOSI HERPESVIRUS TREATMENT AMERICAN HOME PRODUCTS CORPORATION 2002-01-01 US disclosed
US-6262090-B1 Aminopyridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION 2001-07-17 US disclosed