SCHEMBL7574137

SCHEMBL7574137

O=C(Nc1ccc(N(S)C(=O)NCCc2ccc(F)cc2)cc1)c1ccncc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.57
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 1/20 0.47
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 2/20 0.45
HTT P42858 2/20 0.45
MAPK1 P28482 1/20 0.45
CNR1 P21554 1/20 0.45
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL7785673 0.92 MEN1 (0.55) NAMPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL7782535 0.92 MEN1 (0.55) NAMPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL7782983 0.89 NPC1 (0.56) NAMPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL7784397 0.88 MEN1 (0.49) NAMPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL7567764 0.88 ESRRG (0.52) NAMPTMEN1KMT2AGAARAB9A
SCHEMBL7569047 0.87 CNR1 (0.59) NAMPTMEN1KMT2AGAARAB9A
SCHEMBL7843705 0.87 MEN1 (0.53) NAMPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL7568194 0.85 MEN1 (0.48) NAMPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL7598233 0.85 FPR2 (0.61) NAMPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL7596047 0.84 KMT2A (0.51) NAMPTL3MBTL1MEN1KMT2ARAB9A

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 7 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
EP-1137633-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING 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-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