SCHEMBL7718014

SCHEMBL7718014

Nc1ccc(NC(=O)c2ccc(Br)o2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 14/20 0.70
NPC1 O15118 13/20 0.70
SMN1; SMN2 Q16637 8/20 0.70
LMNA P02545 5/20 0.70
TP53 P04637 4/20 0.70
NFKB1 P19838 2/20 0.70
NFKB2 Q00653 2/20 0.70
RELA Q04206 2/20 0.70
MAPT P10636 7/20 0.68
MEN1 O00255 5/20 0.68
KMT2A Q03164 5/20 0.68
TDP1 Q9NUW8 2/20 0.68
TSHR P16473 2/20 0.68
HPGD P15428 2/20 0.68
ALDH1A1 P00352 3/20 0.66
PKM P14618 2/20 0.66
POLB P06746 5/20 0.65
GFER P55789 2/20 0.65
USP2 O75604 2/20 0.65
L3MBTL1 Q9Y468 3/20 0.62

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
SCHEMBL21661826 0.88 LMNA (0.62) RAB9ANPC1SMN1; SMN2LMNATP53
SCHEMBL18180861 0.83 RAB9A (0.70) RAB9ANPC1SMN1; SMN2LMNATP53
SCHEMBL4020988 0.83 RAB9A (0.70) RAB9ANPC1SMN1; SMN2LMNATP53
SCHEMBL7718030 0.83 RAB9A (0.54) RAB9ANPC1SMN1; SMN2LMNATP53
SCHEMBL22804219 0.83 RAB9A (0.70) RAB9ANPC1SMN1; SMN2LMNATP53
SCHEMBL3642839 0.83 MAPT (0.88) RAB9ANPC1SMN1; SMN2LMNATP53
SCHEMBL7777752 0.80 KLK7 (0.83) RAB9ANPC1SMN1; SMN2LMNATP53
SCHEMBL4018260 0.79 NPC1 (0.61) RAB9ANPC1SMN1; SMN2LMNATP53
SCHEMBL12793737 0.78 MEN1 (0.64) RAB9ANPC1SMN1; SMN2LMNATP53
SCHEMBL15651368 0.78 LMNA (0.50) RAB9ANPC1SMN1; SMN2LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6380243-B1 INCLUDING HUMAN CYTOMEGALOVIRUS, HERPES SIMPLEX VIRUSES, EPSTEIN-BARR VIRUS, VARICELLA-ZOSTER VIRUS, HUMAN HERPESVIRUSES- 6 AND -7, AND KAPOSI HERPESVIRUS. AMERICAN HOME PRODUCTS CORPORATION 2002-04-30 US 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
EP-1137647-A1 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-2000034268-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