SCHEMBL7567787

SCHEMBL7567787

CCC(NC(=O)N(S)c1ccc(C(N)=O)cc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SLC6A9 P48067 1/20 0.44
RECQL P46063 1/20 0.42
TAOK1 Q7L7X3 1/20 0.41
TAOK3 Q9H2K8 1/20 0.41
EPHX2 P34913 2/20 0.41
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
KCNA5 P22460 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL7644569 0.89 ROCK2 (0.44) TSHRHSD17B10RECQLEPHX2KMT2A
SCHEMBL6811096 0.83 ALDH1A1 (0.46) KDM4EALDH1A1LMNAHSD17B10KMT2A
SCHEMBL7784277 0.78 HAT1 (0.46) RECQLKMT2ASMN1; SMN2HRH2HRH1
SCHEMBL7640116 0.78 NPC1 (0.52) ALDH1A1LMNAKMT2ASMN1; SMN2NPC1
SCHEMBL7947538 0.76 BCAT2 (0.38) TSHRHSD17B10RECQLKMT2ASMN1; SMN2
SCHEMBL7945388 0.76 BCAT2 (0.38) TSHRHSD17B10RECQLKMT2ASMN1; SMN2
SCHEMBL7657499 0.76 EPHX2 (0.50) EPHX2KMT2A
SCHEMBL7639576 0.76 KMT2A (0.56) KDM4EALDH1A1LMNAHPGDKMT2A
SCHEMBL7569282 0.76 HAT1 (0.40) RECQLEPHX2KMT2ASMN1; SMN2NPC1
SCHEMBL7868211 0.75 NPC1 (0.58) KDM4EALDH1A1LMNAHPGDTSHR

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-1140913-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-10 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-2000034269-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed