SCHEMBL7162135

SCHEMBL7162135

S=C(NC1=CC[CH]C=C1)Nc1cc(Cl)cc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.47
MAOB P27338 1/20 0.46
ALDH1A1 P00352 5/20 0.42
MAPT P10636 5/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
HPGD P15428 2/20 0.42
HTT P42858 2/20 0.42
XBP1 P17861 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 3/20 0.36
MAPKAPK2 P49137 1/20 0.36

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
SCHEMBL7161939 0.87 ALDH1A1 (0.37) IDO1MAOBALDH1A1MAPTKMT2A
SCHEMBL7166721 0.81 MAPT (0.51) IDO1ALDH1A1MAPTKMT2AMEN1
SCHEMBL7163887 0.81 KMT2A (0.64) ALDH1A1MAPTKMT2AMEN1HTT
SCHEMBL7864141 0.80 MAPT (0.40) MAOBALDH1A1MAPTKMT2AMEN1
SCHEMBL7656137 0.78 MAPT (0.47) IDO1ALDH1A1MAPTKMT2AMEN1
SCHEMBL7643242 0.78 ALDH1A1 (0.46) IDO1MAOBALDH1A1MAPTKMT2A
SCHEMBL7979005 0.78 ALDH1A1 (0.55) MAOBALDH1A1MAPTKMT2AMEN1
SCHEMBL7166469 0.78 MEN1 (0.51) IDO1ALDH1A1MAPTKMT2AMEN1
SCHEMBL7638965 0.78 ALDH1A1 (0.52) ALDH1A1MAPTKMT2AMEN1HPGD
SCHEMBL7159183 0.78 ALDH1A1 (0.42) IDO1ALDH1A1MAPTKMT2AMEN1

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 10 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
EP-1140913-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-10 EP 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
WO-2000034269-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed