SCHEMBL7599212

SCHEMBL7599212

O=C(Nc1ccc(NC(=S)NCCc2cccc(Br)c2)cc1)c1ccccc1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.57
MAPT P10636 8/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
MEN1 O00255 7/20 0.52
KMT2A Q03164 7/20 0.52
ALOX12 P18054 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2D6 P10635 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
CNR1 P21554 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
NPC1 O15118 6/20 0.51
LMNA P02545 4/20 0.49
ALDH1A1 P00352 2/20 0.49
GAA P10253 2/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
MAPK1 P28482 1/20 0.47

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
SCHEMBL6814953 0.89 MAPT (0.60) RAB9AMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7784386 0.88 MAPT (0.65) RAB9AMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL6816652 0.88 RAB9A (0.73) RAB9AMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL6811342 0.87 RAB9A (0.65) RAB9AMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7846063 0.87 MAPT (0.64) RAB9AMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7597608 0.85 CNR1 (0.55) RAB9AMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7598142 0.85 RAB9A (0.60) RAB9AMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7599037 0.85 CNR1 (0.54) RAB9AMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7600319 0.85 CNR1 (0.54) RAB9AMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7785389 0.84 RAB9A (0.60) RAB9AMAPTSMN1; SMN2MEN1KMT2A

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-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-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-2000034269-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-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-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