SCHEMBL7782979

SCHEMBL7782979

O=C(Nc1ccc(NC(=S)NCCc2ccc(F)cc2)cc1)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.70
ALDH1A1 P00352 6/20 0.70
RAB9A P51151 5/20 0.70
NPC1 O15118 4/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
KMT2A Q03164 7/20 0.65
LMNA P02545 4/20 0.64
ALOX12 P18054 2/20 0.64
MEN1 O00255 5/20 0.63
POLB P06746 2/20 0.63
HTT P42858 2/20 0.62
GAA P10253 2/20 0.62
MAPK1 P28482 2/20 0.61
TP53 P04637 1/20 0.61
MAOA P21397 1/20 0.59
MAOB P27338 1/20 0.59
HDAC1 Q13547 1/20 0.57
TDP1 Q9NUW8 1/20 0.57

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
SCHEMBL7782533 0.94 MAPT (0.79) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL7785670 0.94 MAPT (0.79) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL7596044 0.89 KMT2A (0.68) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL7567762 0.89 MAPT (0.72) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL7574135 0.88 MAPT (0.67) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL7569043 0.88 MAPT (0.81) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL7784395 0.87 MAPT (0.69) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL22289694 0.87 RAB9A (0.79) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL7566054 0.86 MAPT (0.67) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL6816342 0.85 LMNA (0.64) MAPTALDH1A1RAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1137647-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-2000034268-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-2000034237-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed