SCHEMBL7574686

SCHEMBL7574686

NC(=O)COc1c(Cl)cc(N)cc1Cl.Nc1cc(Cl)c(OCc2ccccc2)c(Cl)c1.Nc1ccc(N)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
MAPT P10636 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
GAA P10253 2/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTT P42858 1/20 0.44
THRB P10828 2/20 0.42
THRA P10827 1/20 0.42
TP53 P04637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.41
PARP10 Q53GL7 1/20 0.40
GLRA1 P23415 1/20 0.40
ACLY P53396 1/20 0.40

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
SCHEMBL2811650 0.84 KDM4E (0.52) KDM4EMAPTL3MBTL1GAAMAOA
SCHEMBL6815003 0.83 ALDH1A1 (0.54) KDM4EL3MBTL1GAASMN1; SMN2HTT
SCHEMBL1457712 0.74 MEN1 (0.63) KDM4ERAB9ASMN1; SMN2THRBTHRA
SCHEMBL8405763 0.73 LMNA (0.50) KDM4EMAPTGAARAB9ASMN1; SMN2
SCHEMBL4901522 0.73 GLRA1 (0.65) KDM4EMAPTGAARAB9ASMN1; SMN2
SCHEMBL5918942 0.72 KDM4E (0.60) KDM4EMAPTL3MBTL1GAAMAOA
SCHEMBL6462111 0.71 ALDH1A1 (0.51) KDM4EMAPTL3MBTL1GAAHTT
SCHEMBL29202172 0.71 MRGPRX4 (0.52) KDM4ESMN1; SMN2HTTTHRBTHRA
SCHEMBL28857697 0.71 KMT2A (0.60) KDM4EMAPTRAB9ASMN1; SMN2THRB
SCHEMBL3238114 0.70 SMN1; SMN2 (0.48) KDM4EMAPTGAARAB9ASMN1; SMN2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144399-A3 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A SUBSTITUTED PHENYLENEDIAMINE GROUP Wyeth (US) 2002-09-11 EP disclosed
EP-1144397-A3 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP Wyeth (US) 2002-09-11 EP disclosed
EP-1144399-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A SUBSTITUTED PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-17 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
EP-1137632-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP disclosed
EP-1137647-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP disclosed
WO-2000034268-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034261-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A SUBSTITUTED PHENYLENEDIAMINE GROUP 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
WO-2000034258-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed