SCHEMBL6811239

SCHEMBL6811239

COc1cccc(CCNC(=S)Nc2ccc(NC(=O)c3csnn3)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.62
MAPT P10636 8/20 0.59
TP53 P04637 3/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
CNR1 P21554 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.51
ALOX12 P18054 1/20 0.51
LMNA P02545 4/20 0.50
ALDH1A1 P00352 3/20 0.50
GAA P10253 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
POLB P06746 1/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48

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
SCHEMBL6815133 0.89 MAPT (0.69) THRBMAPTTP53MEN1KMT2A
SCHEMBL6816647 0.86 MAPT (0.60) THRBMAPTTP53MEN1KMT2A
SCHEMBL6819733 0.86 MAPT (0.64) THRBMAPTTP53MEN1KMT2A
SCHEMBL6815256 0.85 MAPT (0.53) THRBMAPTTP53MEN1KMT2A
SCHEMBL6815517 0.85 MAPT (0.49) THRBMAPTTP53MEN1KMT2A
SCHEMBL6815214 0.85 CNR1 (0.53) THRBMAPTTP53MEN1KMT2A
SCHEMBL6815912 0.85 MAPT (0.60) MAPTTP53MEN1KMT2ASMN1; SMN2
SCHEMBL6815050 0.84 LMNA (0.54) THRBMAPTTP53MEN1KMT2A
SCHEMBL6815254 0.83 MEN1 (0.61) THRBMAPTTP53MEN1KMT2A
SCHEMBL6811640 0.82 MAPT (0.49) THRBMAPTTP53MEN1KMT2A

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-1137632-B1 THIOUREA INHIBITORS OF HERPES VIRUSES WYETH CORP (US) 2004-07-28 EP disclosed
EP-1137645-B1 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP WYETH CORP (US) 2004-05-26 EP disclosed
US-6555561-B2 N-(5-((((5-Chloro-2,4-dimethoxyphenyl)amino)thioxomethyl)-amino)-2 -pyridinyl)-2-methylbenzamide, for example; inhibiting replication of a herpes virus WYETH 2003-04-29 US disclosed
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