SCHEMBL6816155

SCHEMBL6816155

Nc1ccc(NC(=S)Nc2cccc(Br)c2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.75
MEN1 O00255 4/20 0.75
ALDH1A1 P00352 2/20 0.75
KDM4E B2RXH2 1/20 0.75
IDO1 P14902 1/20 0.68
MAPT P10636 4/20 0.66
RAB9A P51151 1/20 0.66
CYP1A2 P05177 2/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2D6 P10635 2/20 0.58
CYP2C19 P33261 2/20 0.58
NPSR1 Q6W5P4 1/20 0.58
HTT P42858 1/20 0.58
MAOA P21397 1/20 0.56
MAOB P27338 1/20 0.56
EGFR P00533 7/20 0.55
LMNA P02545 1/20 0.53
HPGD P15428 1/20 0.53
ALOX12 P18054 1/20 0.53
CYP2C9 P11712 1/20 0.50

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
SCHEMBL11067809 0.88 MEN1 (0.83) KMT2AMEN1ALDH1A1KDM4EIDO1
SCHEMBL5442089 0.88 KMT2A (0.89) KMT2AMEN1ALDH1A1KDM4EIDO1
SCHEMBL31388373 0.88 KMT2A (0.89) KMT2AMEN1ALDH1A1KDM4EIDO1
SCHEMBL16566477 0.86 KMT2A (1.00) KMT2AMEN1ALDH1A1KDM4EIDO1
SCHEMBL6814473 0.84 KMT2A (0.72) KMT2AMEN1ALDH1A1KDM4EIDO1
SCHEMBL7660223 0.82 MAPT (0.68) KMT2AMEN1ALDH1A1IDO1MAPT
SCHEMBL7594296 0.81 ALDH1A1 (0.67) KMT2AMEN1ALDH1A1KDM4EIDO1
SCHEMBL6814454 0.81 KMT2A (0.74) KMT2AMEN1ALDH1A1KDM4EIDO1
SCHEMBL6153945 0.81 IDO1 (1.00) KMT2AMEN1ALDH1A1KDM4EIDO1
SCHEMBL6811430 0.80 MEN1 (0.71) KMT2AMEN1ALDH1A1IDO1MAPT

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
US-6426355-B1 VIRICIDES; PREVENTION PRODUCTION AMERICAN HOME PRODUCTS 2002-07-30 US claimed
EP-1137645-B1 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP WYETH CORP (US) 2004-05-26 EP disclosed
EP-1144399-A3 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A SUBSTITUTED PHENYLENEDIAMINE GROUP Wyeth (US) 2002-09-11 EP disclosed
US-6426355-B1 VIRICIDES; PREVENTION PRODUCTION AMERICAN HOME PRODUCTS 2002-07-30 US disclosed
US-6407249-B1 COMPOUNDS CONTAINING FURAN RING STRUCTURE AMERICAN HOME PRODUCTS CORPORATION 2002-06-18 US disclosed
US-6335350-B1 VARICELLA-ZOSTER, HUMAN CYTOMEGALO, EPSTEIN-BARR AND KAPOSI HERPESVIRUS TREATMENT AMERICAN HOME PRODUCTS CORPORATION 2002-01-01 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
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