SCHEMBL7777692

SCHEMBL7777692

CN(C)c1cc(NC(=S)NCCc2ccc(F)cc2)ccc1NC(=O)c1ccccc1F

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.54
MAPT P10636 7/20 0.52
ALDH1A1 P00352 5/20 0.52
GAA P10253 4/20 0.52
MEN1 O00255 4/20 0.52
RAB9A P51151 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 2/20 0.52
PLA2G1B P04054 1/20 0.52
ATG4B Q9Y4P1 1/20 0.52
HTT P42858 3/20 0.48
POLB P06746 1/20 0.48
LMNA P02545 4/20 0.47
ALOX12 P18054 1/20 0.47
HDAC1 Q13547 1/20 0.46
TP53 P04637 2/20 0.46
MAPK1 P28482 1/20 0.46
PKM P14618 1/20 0.45

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
SCHEMBL7595464 0.89 KMT2A (0.59) KMT2AMAPTALDH1A1GAAMEN1
SCHEMBL7575610 0.87 MAPT (0.65) KMT2AMAPTALDH1A1GAAMEN1
SCHEMBL7599785 0.86 GAA (0.61) KMT2AMAPTALDH1A1GAAMEN1
SCHEMBL7593320 0.86 MAPT (0.53) KMT2AMAPTALDH1A1GAAMEN1
SCHEMBL7783861 0.85 KMT2A (0.57) KMT2AMAPTALDH1A1GAAMEN1
SCHEMBL7777672 0.85 RAB9A (0.53) KMT2AMAPTALDH1A1GAAMEN1
SCHEMBL6816342 0.85 LMNA (0.64) KMT2AMAPTALDH1A1GAAMEN1
SCHEMBL7566802 0.85 KMT2A (0.62) KMT2AMAPTALDH1A1GAAMEN1
SCHEMBL7785679 0.84 KMT2A (0.63) KMT2AMAPTALDH1A1GAAMEN1
SCHEMBL7782994 0.84 MAPT (0.51) KMT2AMAPTALDH1A1GAAMEN1

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-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-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
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-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