SCHEMBL7785539

SCHEMBL7785539

CCCCC(=NOC)c1ccc(F)cc1.CON=C(C)c1ccc(C)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
PTBP1 P26599 1/20 0.46
PPARG P37231 2/20 0.45
PPARA Q07869 2/20 0.45
SLC6A4 P31645 1/20 0.43
HTR7 P34969 1/20 0.42
DRD4 P21917 6/20 0.42
DRD2 P14416 3/20 0.42
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
TRPA1 O75762 2/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL18601776 0.88 HTR7 (0.53) SMN1; SMN2LMNAPTBP1PPARGPPARA
SCHEMBL6814945 0.88 HTR7 (0.53) SMN1; SMN2LMNAPTBP1PPARGPPARA
SCHEMBL9874641 0.77 SLC6A4 (0.46) LMNASLC6A4DRD4DRD2ALDH1A1
SCHEMBL7843985 0.77 DRD4 (0.47) SMN1; SMN2PPARGPPARASLC6A4HTR7
SCHEMBL9874645 0.77 SLC6A4 (0.46) LMNASLC6A4DRD4DRD2ALDH1A1
SCHEMBL6076756 0.77 LMNA (0.66) CYP1A2SMN1; SMN2LMNAPTBP1PPARG
SCHEMBL16202051 0.77 LMNA (0.66) CYP1A2SMN1; SMN2LMNAPTBP1PPARG
SCHEMBL9872696 0.75 SLC6A4 (0.44) PPARGPPARASLC6A4HTR7DRD4
SCHEMBL9872693 0.75 SLC6A4 (0.44) PPARGPPARASLC6A4HTR7DRD4
SCHEMBL16440164 0.75 CYP1A2 (0.51) CYP1A2SMN1; SMN2LMNAPTBP1PPARG

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