SCHEMBL7594296

SCHEMBL7594296

NC(=O)c1ccc(NC(=S)Nc2cccc(Br)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.67
MEN1 O00255 5/20 0.67
KMT2A Q03164 5/20 0.67
KDM4E B2RXH2 2/20 0.67
IDO1 P14902 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.56
MAPT P10636 5/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HTT P42858 1/20 0.52
PARP1 P09874 1/20 0.51
LMNA P02545 2/20 0.51
ALOX12 P18054 2/20 0.51
HPGD P15428 1/20 0.51
GRIK1 P39086 1/20 0.51

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
SCHEMBL6815988 0.86 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AKDM4EL3MBTL1
SCHEMBL7660214 0.84 ALDH1A1 (0.67) ALDH1A1MEN1KMT2AKDM4EIDO1
SCHEMBL6814466 0.84 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AKDM4EL3MBTL1
SCHEMBL6814445 0.84 KMT2A (0.66) ALDH1A1MEN1KMT2AKDM4EIDO1
SCHEMBL11067809 0.82 MEN1 (0.83) ALDH1A1MEN1KMT2AKDM4EIDO1
SCHEMBL6815731 0.82 ALDH1A1 (0.73) ALDH1A1MEN1KMT2AKDM4EL3MBTL1
Hydrochloric Acid SCHEMBL3718967 0.82 ALDH1A1 (0.70) ALDH1A1MEN1KMT2AKDM4EL3MBTL1
SCHEMBL7587761 0.82 CA1 (0.64) ALDH1A1MEN1KMT2AKDM4EL3MBTL1
SCHEMBL6819395 0.82 MAPT (0.64) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL6811419 0.82 MEN1 (0.64) ALDH1A1MEN1KMT2AIDO1L3MBTL1

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 11 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-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