SCHEMBL6815872

SCHEMBL6815872

O=C(Nc1ccc(NC(=S)Nc2ccc(Cl)c(Cl)c2)cc1)c1csnn1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.62
LMNA P02545 3/20 0.62
THRB P10828 2/20 0.60
MAPT P10636 9/20 0.59
ALDH1A1 P00352 7/20 0.59
MEN1 O00255 6/20 0.59
KMT2A Q03164 6/20 0.59
RAB9A P51151 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
HPGD P15428 2/20 0.59
NPC1 O15118 1/20 0.59
POLB P06746 1/20 0.59
GAA P10253 1/20 0.56
HKDC1 Q2TB90 1/20 0.56
GRM4 Q14833 1/20 0.56
BLM P54132 1/20 0.49

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
SCHEMBL6811667 0.90 TP53 (0.59) TP53LMNATHRBMAPTALDH1A1
SCHEMBL6815963 0.89 TP53 (0.59) TP53LMNATHRBMAPTALDH1A1
SCHEMBL6817092 0.89 TP53 (0.62) TP53LMNATHRBMAPTALDH1A1
SCHEMBL6815720 0.89 THRB (0.60) TP53LMNATHRBMAPTALDH1A1
SCHEMBL6816253 0.89 LMNA (0.59) TP53LMNATHRBMAPTALDH1A1
SCHEMBL6816498 0.89 MAPT (0.58) TP53LMNATHRBMAPTALDH1A1
SCHEMBL6815363 0.87 LMNA (0.65) TP53LMNATHRBMAPTALDH1A1
SCHEMBL6815847 0.86 THRB (0.82) TP53LMNATHRBMAPTALDH1A1
SCHEMBL6819514 0.86 TP53 (0.87) TP53LMNATHRBMAPTALDH1A1
SCHEMBL6819740 0.86 GRM4 (0.61) TP53LMNATHRBMAPTALDH1A1

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 4 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-6262090-B1 Aminopyridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION 2001-07-17 US disclosed
US-6197803-B1 VIRICIDES; PREVENTION REPRODUCTION AMERICAN HOME PRODUCTS CORPORATION 2001-03-06 US disclosed