SCHEMBL7785674

SCHEMBL7785674

Cc1cc(NC(=S)NCCc2ccc(Br)cc2)ccc1NC(=O)c1ccccc1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.52
MAPT P10636 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
KMT2A Q03164 5/20 0.52
MEN1 O00255 3/20 0.52
ALOX12 P18054 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
GAA P10253 2/20 0.49
ALDH1A1 P00352 4/20 0.48
LMNA P02545 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PTBP1 P26599 1/20 0.46
HTT P42858 1/20 0.46
NPC1 O15118 2/20 0.46
PLA2G1B P04054 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44

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 0.92 KMT2A (0.59) RAB9AMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL7566802 0.89 KMT2A (0.62) RAB9AMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL7600495 0.88 RAB9A (0.48) RAB9AMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL7569580 0.88 RAB9A (0.51) RAB9AMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL7784386 0.87 MAPT (0.65) RAB9AMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL7570576 0.86 RAB9A (0.49) RAB9AMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL7785810 0.82 MAPT (0.44) RAB9AMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL7777692 0.81 KMT2A (0.54) RAB9AMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL7575610 0.81 MAPT (0.65) RAB9AMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL7599459 0.81 RAB9A (0.60) RAB9AMAPTSMN1; SMN2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144397-A3 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP Wyeth (US) 2002-09-11 EP disclosed
EP-1144397-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-17 EP disclosed
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
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-2000034269-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034258-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING 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