SCHEMBL7574604

SCHEMBL7574604

Nc1ccc(NC(=O)c2sccc2Br)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
LMNA P02545 3/20 0.54
GFER P55789 1/20 0.54
PKM P14618 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
POLB P06746 2/20 0.51
APEX1 P27695 1/20 0.51
RAB9A P51151 6/20 0.47
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ITGB1 P05556 1/20 0.45
ITGA4 P13612 1/20 0.45
SNCA P37840 1/20 0.44
NPC1 O15118 4/20 0.43

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
SCHEMBL3640599 0.83 DHODH (0.51) MAPTKMT2AMEN1LMNAPKM
SCHEMBL2548627 0.81 MEN1 (0.59) MAPTKMT2AMEN1LMNAPKM
SCHEMBL7574607 0.78 POLB (0.45) KMT2ALMNAPOLBCA12CA1
SCHEMBL28199358 0.77 MAPT (0.55) MAPTKMT2AMEN1LMNAPKM
SCHEMBL6814716 0.77 NAMPT (0.46) MAPTKMT2AMEN1PKMPOLB
SCHEMBL1346566 0.75 ALDH1A1 (0.49) MAPTKMT2AMEN1LMNAPOLB
SCHEMBL1703373 0.74 NPC1 (0.56) MAPTKMT2AMEN1LMNAPKM
SCHEMBL2548236 0.74 EDNRB (0.46) MAPTKMT2AMEN1LMNAPKM
Hydrochloric Acid SCHEMBL9825967 0.73 KDM4E (0.48) KMT2AMEN1POLBRAB9ACA12
SCHEMBL1346796 0.73 POLB (0.54) MAPTKMT2AMEN1LMNAPKM

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 10 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-1144397-A3 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING 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-1144397-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-17 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
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-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-2000034258-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed