SCHEMBL6815925

SCHEMBL6815925

O=C(Nc1ccc(NC(=S)Nc2ccc(NC(=O)c3ccco3)cc2)cc1Cl)OCCN1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.55
L3MBTL1 Q9Y468 2/20 0.54
AHR P35869 1/20 0.54
RAB9A P51151 10/20 0.53
NPC1 O15118 9/20 0.53
MAPT P10636 8/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
LMNA P02545 3/20 0.53
TP53 P04637 2/20 0.53
NFKB1 P19838 1/20 0.53
MAPK1 P28482 1/20 0.53
CASP1 P29466 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
POLB P06746 5/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
KDM4E B2RXH2 7/20 0.51
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47

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
SCHEMBL7166821 0.86 ALDH1A1 (0.61) ALDH1A1L3MBTL1AHRRAB9ANPC1
SCHEMBL7166846 0.85 ALDH1A1 (0.61) ALDH1A1L3MBTL1AHRRAB9ANPC1
SCHEMBL6815932 0.84 RAB9A (0.45) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL6816491 0.84 ALDH1A1 (0.67) ALDH1A1L3MBTL1AHRRAB9ANPC1
SCHEMBL6816178 0.83 HPGD (0.53) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL7161393 0.77 ALDH1A1 (0.61) ALDH1A1L3MBTL1AHRRAB9ANPC1
SCHEMBL7161424 0.76 ALDH1A1 (0.56) ALDH1A1L3MBTL1AHRRAB9ANPC1
SCHEMBL7161392 0.74 ALDH1A1 (0.67) ALDH1A1L3MBTL1AHRRAB9ANPC1
SCHEMBL6812261 0.74 ACHE (0.53) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL7164665 0.73 ALDH1A1 (0.68) ALDH1A1L3MBTL1AHRRAB9ANPC1

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-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
EP-1140913-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-10 EP disclosed
EP-1137632-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 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
US-6166028-A Diaminopuridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION (US) 2000-12-26 US disclosed
WO-2000034269-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034238-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed