SCHEMBL7593631

SCHEMBL7593631

CC(C)(C)c1cccc(NC(=O)N(S)c2ccc(C(N)=O)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.51
HDAC6 Q9UBN7 2/20 0.51
HDAC3 O15379 1/20 0.51
KDR P35968 1/20 0.47
TP53 P04637 2/20 0.44
KCNK9 Q9NPC2 1/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
RAB9A P51151 3/20 0.42
ALDH1A1 P00352 2/20 0.42
RAF1 P04049 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
P2RX1 P51575 1/20 0.41
KCNJ6 P48051 1/20 0.41
KCNJ5 P48544 1/20 0.41
KCNJ3 P48549 1/20 0.41
KCNK3 O14649 1/20 0.41

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
SCHEMBL6816141 0.88 TP53 (0.56) TP53MEN1KMT2ARAB9AALDH1A1
SCHEMBL7947659 0.85 KIF11 (0.49) HDAC8HDAC6HDAC3KDRMEN1
SCHEMBL6815994 0.84 MEN1 (0.51) MEN1KMT2AALDH1A1KCNK3
SCHEMBL7945534 0.84 CSF1R (0.49) HDAC8HDAC6HDAC3KDRTP53
SCHEMBL6811291 0.84 ALDH1A1 (0.48) TP53MEN1KMT2ARAB9AALDH1A1
SCHEMBL6816596 0.84 KMT2A (0.49) TP53MEN1KMT2ARAB9AALDH1A1
SCHEMBL6815699 0.82 HDAC6 (0.50) HDAC6TP53MEN1KMT2ARAB9A
SCHEMBL6814470 0.82 DDX3X (0.50) HDAC8HDAC6HDAC3MEN1KMT2A
SCHEMBL6814449 0.82 KMT2A (0.47) TP53MEN1KMT2ARAB9AALDH1A1
SCHEMBL7594299 0.81 PARP1 (0.46) KDRTP53MEN1KMT2ARAB9A

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 12 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
US-6407249-B1 COMPOUNDS CONTAINING FURAN RING STRUCTURE AMERICAN HOME PRODUCTS CORPORATION 2002-06-18 US 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
US-6262082-B1 Diaminopyridine-containing thiourea inhibitors of herpes viruses WYETH 2001-07-17 US disclosed
US-6207715-B1 USEFUL IN THERAPY OF DISEASES ASSOCIATED WITH HERPES VIRUSES INCLUDING HUMAN CYTOMEGALOVIRUS, HERPES SIMPLEX VIRUSES, EPSTEIN-BARR VIRUS, VARICELLA-ZOSTER VIRUS, HUMAN HERPESVIRUSES-6 AND -7, AND KAPOSI HERPES VIRUS AMERICAN HOME PRODUCTS CORPORATION 2001-03-27 US disclosed
US-6201013-B1 INOSINE MONOPHOSPHATE DEHYDROGENASE (IMPDH) INHIBITOR; SIDE EFFECT REDUCTION, NON-DRUG RESISTANT AMERICAN HOME PRODUCTS CORPORATION 2001-03-13 US disclosed
US-6197803-B1 VIRICIDES; PREVENTION REPRODUCTION AMERICAN HOME PRODUCTS CORPORATION 2001-03-06 US disclosed
US-6166028-A Diaminopuridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION (US) 2000-12-26 US 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