SCHEMBL7162115

SCHEMBL7162115

COc1cc(OC)c(NC(=S)NC2=CC[CH]C=C2)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.39
MAPT P10636 6/20 0.39
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
HPGD P15428 4/20 0.39
LMNA P02545 3/20 0.39
HTT P42858 1/20 0.36
GAA P10253 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 2/20 0.34
POLB P06746 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL6814042 0.85 ALDH1A1 (0.56) ALDH1A1MAPTKMT2AMEN1HPGD
SCHEMBL7653857 0.81 ALDH1A1 (0.52) ALDH1A1MAPTKMT2AMEN1HPGD
SCHEMBL7643242 0.73 ALDH1A1 (0.46) ALDH1A1MAPTKMT2AMEN1HPGD
SCHEMBL7656841 0.71 KMT2A (0.54) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL6814324 0.69 ALDH1A1 (0.50) ALDH1A1MAPTKMT2AMEN1HPGD
SCHEMBL7908521 0.69 MAPT (0.56) ALDH1A1MAPTKMT2AMEN1HTT
SCHEMBL7162396 0.68 ALDH1A1 (0.54) ALDH1A1MAPTKMT2AMEN1HPGD
SCHEMBL6815489 0.68 ALDH1A1 (0.56) ALDH1A1MAPTKMT2AMEN1HPGD
SCHEMBL7166469 0.68 MEN1 (0.51) ALDH1A1MAPTKMT2AMEN1HPGD
SCHEMBL7904722 0.68 MAPT (0.63) ALDH1A1MAPTKMT2AMEN1HPGD

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
US-6555561-B2 N-(5-((((5-Chloro-2,4-dimethoxyphenyl)amino)thioxomethyl)-amino)-2 -pyridinyl)-2-methylbenzamide, for example; inhibiting replication of a herpes virus WYETH 2003-04-29 US disclosed
US-6462055-B2 VIRICIDES WYETH 2002-10-08 US disclosed
US-6410571-B1 VIRICIDES AMERICAN HOME PRODUCTS CORPORATION 2002-06-25 US disclosed
US-6407123-B1 VIRICIDES FOR TREATMENT OF HUMAN CYTOMEGALO, EPSTEIN-BARR, VARICELLA-ZOSTER AND KAPOSI*S HERPES VIRAL INFECTIONS AMERICAN HOME PRODUCTS CORPORATION 2002-06-18 US disclosed
US-6403617-B1 INCLUDING HUMAN CYTOMEGALOVIRUS, HERPES SIMPLEX VIRUSES, EPSTEIN-BARR VIRUS, VARICELLA-ZOSTER VIRUS, HUMANHERPESVIRUSES-6 AND -7, AND KAPOSI HERPESVIRUS AMERICAN HOME PRODUCTS CORP. 2002-06-11 US 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
US-6271236-B1 PHENYL UREAS/THIOUREAS AS INHIBITORS OF INOSINE MONOPHOSPHATE DEHYDROGENASE ENZYME, USEFUL IN TREATING HUMAN CYTOMEGALOVIRUS, HERPES SIMPLEX VIRUSES, EPSTEIN-BARR VIRUS, AND VARICELLA-ZOSTER VIRUS WYETH 2001-08-07 US disclosed
US-6255349-B1 PREVENTION REPRODUCTION; VIRICIDES AMERICAN HOME PRODUCTS CORPORATION 2001-07-03 US disclosed