SCHEMBL7573473

SCHEMBL7573473

CC(=O)Nc1cc(Cl)c(N)cc1C.CCOC(=O)Nc1ccc(N)cc1Cl.Cc1cc(N)c(Cl)cc1NC(=O)c1ccccc1F.O=C(O)c1ccco1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.45
KDM4E B2RXH2 6/20 0.41
RAB9A P51151 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 2/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
HPGD P15428 2/20 0.40
ALDH1A1 P00352 8/20 0.38
MAPT P10636 5/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GRM4 Q14833 1/20 0.38
GAA P10253 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 2/20 0.38

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
SCHEMBL6815546 0.74 KMT2A (0.58) KDM4ERAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL7567776 0.73 MEN1 (0.50) KDM4ERAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL7566007 0.72 ALDH1A1 (0.39) GFERKDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL7567771 0.71 MEN1 (0.48) KDM4ERAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL7078679 0.70 FADS1 (0.55) KDM4ERAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL6819278 0.70 GRM4 (0.62) GFERKDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL7911933 0.70 KMT2A (0.62) KDM4ERAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL7078989 0.70 GFER (0.58) GFERKDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL7666015 0.70 GFER (0.47) GFERKDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL7783875 0.69 MAPT (0.56) KDM4ERAB9ASMN1; SMN2NPC1KMT2A

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 5 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-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-1137632-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP 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