SCHEMBL7712103

SCHEMBL7712103

Nc1ccc(NC(=O)c2cc3ccccc3s2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.62
HDAC3 O15379 1/20 0.62
HDAC4 P56524 1/20 0.62
HDAC7 Q8WUI4 1/20 0.62
HDAC2 Q92769 1/20 0.62
HDAC10 Q969S8 1/20 0.62
HDAC11 Q96DB2 1/20 0.62
HDAC8 Q9BY41 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62
HDAC9 Q9UKV0 1/20 0.62
HDAC5 Q9UQL6 1/20 0.62
TMIGD3 P0DMS9 2/20 0.57
ADORA1 P30542 2/20 0.57
STAT1 P42224 1/20 0.57
CASP3 P42574 1/20 0.57
SENP8 Q96LD8 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
SENP6 Q9GZR1 1/20 0.57
F10 P00742 1/20 0.56
PIN1 Q13526 1/20 0.54

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
SCHEMBL1853197 0.88 HDAC1 (0.70) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL21446743 0.86 HDAC1 (0.59) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL24272396 0.85 HDAC1 (0.62) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL21446862 0.84 HDAC1 (0.61) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL14923931 0.82 HDAC1 (0.55) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL6794115 0.82 HDAC1 (0.62) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL29815822 0.82 HDAC1 (0.62) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL15652835 0.82 HDAC2 (0.72) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL21446740 0.81 HDAC1 (0.58) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL6803399 0.81 HDAC1 (0.57) HDAC1HDAC3HDAC4HDAC7HDAC2

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