SCHEMBL7778713

SCHEMBL7778713

O=C(Nc1ccc(NC(=S)Nc2cc(Cl)c(Cl)c(Cl)c2)cc1)c1ccco1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.67
NPC1 O15118 5/20 0.67
CASP3 P42574 1/20 0.67
SENP8 Q96LD8 1/20 0.67
SENP7 Q9BQF6 1/20 0.67
SENP6 Q9GZR1 1/20 0.67
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
ALOX12 P18054 2/20 0.62
HPGD P15428 2/20 0.62
ALOX15 P16050 1/20 0.62
ALDH1A1 P00352 5/20 0.60
KDM4E B2RXH2 2/20 0.60
PTPN2 P17706 1/20 0.58
PTPN1 P18031 1/20 0.58
PTPN6 P29350 1/20 0.58
PTPN11 Q06124 1/20 0.58
MAPT P10636 7/20 0.58
POLB P06746 3/20 0.58

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
SCHEMBL7848327 0.88 RAB9A (0.69) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL7848400 0.86 RAB9A (0.66) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL7662848 0.83 RAB9A (0.81) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL7663138 0.82 RAB9A (0.60) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL7162996 0.82 ALDH1A1 (0.67) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL7162313 0.81 MEN1 (0.86) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL7165787 0.81 ALDH1A1 (0.62) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL7163720 0.81 MEN1 (0.60) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL12846740 0.80 RAB9A (0.73) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL11528802 0.80 RAB9A (1.00) RAB9ANPC1CASP3SENP8SENP7

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 3 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 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
WO-2000034258-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed