SCHEMBL7783085

SCHEMBL7783085

N#Cc1ccc(CCNC(=O)N(S)c2ccc(NC(=O)c3ccccc3F)c(C#N)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.43
NPC1 O15118 4/20 0.43
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
HTT P42858 2/20 0.38
LMNA P02545 2/20 0.38
KAT6A Q92794 2/20 0.38
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CNR1 P21554 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
BCL3 P20749 1/20 0.35
MAPK10 P53779 1/20 0.35
EP300 Q09472 3/20 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
SCHEMBL7782996 0.94 RAB9A (0.43) RAB9ANPC1ALDH1A1SMN1; SMN2HTT
SCHEMBL7570583 0.92 RAB9A (0.42) RAB9ANPC1ALDH1A1SMN1; SMN2HTT
SCHEMBL7575161 0.90 EP300 (0.42) RAB9ANPC1ALDH1A1SMN1; SMN2HTT
SCHEMBL7600498 0.90 RAB9A (0.42) RAB9ANPC1ALDH1A1SMN1; SMN2HTT
SCHEMBL7568874 0.90 RAB9A (0.41) RAB9ANPC1ALDH1A1SMN1; SMN2HTT
SCHEMBL7785913 0.87 RAB9A (0.39) RAB9ANPC1ALDH1A1SMN1; SMN2HTT
SCHEMBL7782955 0.87 L3MBTL1 (0.47) RAB9ANPC1ALDH1A1SMN1; SMN2HTT
SCHEMBL7595964 0.86 RAB9A (0.48) RAB9ANPC1ALDH1A1SMN1; SMN2HTT
SCHEMBL7600058 0.86 NPC1 (0.42) RAB9ANPC1KMT2AL3MBTL1MAPT
SCHEMBL7600182 0.85 PTPN1 (0.42) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1137632-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP claimed
WO-2000034238-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO claimed
EP-1140913-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-10 EP disclosed
EP-1137645-A2 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 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
EP-1137647-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP disclosed
WO-2000034269-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034260-A2 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034268-A1 THIOUREA INHIBITORS OF HERPES VIRUSES 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
WO-2000034237-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed