SCHEMBL7159183

SCHEMBL7159183

S=C(NC1=CC[CH]C=C1)Nc1ccc(I)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.42
MAPT P10636 9/20 0.42
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
HTT P42858 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
GAA P10253 4/20 0.39
LMNA P02545 4/20 0.39
IDO1 P14902 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALOX12 P18054 2/20 0.36
HPGD P15428 2/20 0.36
THRB P10828 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL7166721 0.88 MAPT (0.51) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL7166469 0.85 MEN1 (0.51) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL7645141 0.85 ALDH1A1 (0.42) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL7163887 0.85 KMT2A (0.64) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL7638965 0.85 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL7161939 0.82 ALDH1A1 (0.37) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL7911948 0.81 ALDH1A1 (0.40) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL7914993 0.81 ALDH1A1 (0.40) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL7915002 0.79 CYP3A4 (0.41) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL7162135 0.78 IDO1 (0.47) ALDH1A1MAPTMEN1KMT2AHTT

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 7 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-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