SCHEMBL7569468

SCHEMBL7569468

C[C@H](N)c1ccc(NC(=O)c2csnn2)cc1.NCCc1cc(F)cc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.51
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
POLB P06746 1/20 0.51
HPGD P15428 1/20 0.51
RAB9A P51151 1/20 0.51
MAPT P10636 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 2/20 0.43
THRB P10828 2/20 0.38
MMP2 P08253 1/20 0.38
TLR8 Q9NR97 1/20 0.36
USP36 Q9P275 1/20 0.36
NAMPT P43490 1/20 0.36
GLS O94925 1/20 0.36
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35

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
SCHEMBL6816147 0.79 ALDH1A1 (0.80) TP53ALDH1A1SMN1; SMN2NPC1POLB
SCHEMBL6814421 0.79 ALDH1A1 (0.80) TP53ALDH1A1SMN1; SMN2NPC1POLB
SCHEMBL6815947 0.79 MAPT (0.57) TP53ALDH1A1SMN1; SMN2NPC1POLB
SCHEMBL6816007 0.77 MAPT (0.59) TP53ALDH1A1SMN1; SMN2NPC1POLB
SCHEMBL6815587 0.73 MAPT (0.59) TP53ALDH1A1SMN1; SMN2NPC1POLB
SCHEMBL6816271 0.72 MAPT (0.61) TP53ALDH1A1SMN1; SMN2NPC1POLB
SCHEMBL6811101 0.71 MAPT (0.56) TP53ALDH1A1SMN1; SMN2NPC1POLB
SCHEMBL6815063 0.71 ALDH1A1 (0.60) TP53ALDH1A1SMN1; SMN2NPC1POLB
SCHEMBL7744016 0.71 MAPT (0.61) TP53ALDH1A1SMN1; SMN2NPC1POLB
SCHEMBL7745937 0.71 MAPT (0.61) TP53ALDH1A1SMN1; SMN2NPC1POLB

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-1137633-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING 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-2000034237-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed