SCHEMBL7713019

SCHEMBL7713019

O=c1[nH]c(=O)n([Se])cc1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 4/20 0.54
ALDH1A1 P00352 1/20 0.50
ASAH1 Q13510 1/20 0.44
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PLK4 O00444 1/20 0.40
MAPK9 P45984 1/20 0.40
LIMK1 P53667 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
AKT3 Q9Y243 1/20 0.40
PARP1 P09874 1/20 0.39
P2RY2 P41231 1/20 0.39
SRC P12931 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL15850325 0.78 MET (0.58) METALDH1A1ASAH1HPGDSMN1; SMN2
SCHEMBL23621423 0.74 MET (0.75) METALDH1A1ASAH1
SCHEMBL15538697 0.73 MET (0.73) METALDH1A1ASAH1
SCHEMBL29019844 0.71 ASAH1 (0.48) METALDH1A1ASAH1HPGDMAPK1
SCHEMBL3570523 0.69 MET (0.46) METALDH1A1ASAH1HPGDMEN1
SCHEMBL26034746 0.68 ASAH1 (0.48) METASAH1MEN1KMT2ADAO
SCHEMBL564993 0.68 SMN1; SMN2 (0.46) METALDH1A1HPGDSMN1; SMN2PLK4
SCHEMBL3485414 0.67 ALDH1A1 (1.00) METALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL11827884 0.65 BRD4 (0.47) METALDH1A1ASAH1SMN1; SMN2PLK4
SCHEMBL2008746 0.64 KDR (0.68) ALDH1A1HPGDMAPK1HTTSMN1; SMN2

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-RE37623-E1 PHENYLTHIO AND PHENYLSELENO PYRIMIDINE ANALOGS el Kouni, Mahmoud H. 2002-04-02 US disclosed
EP-0725641-B1 NOVEL INHIBITORS OF URIDINE PHOSPHORYLASE (UrdPase) AND DIHYDROURACIL DEHYDROGENASE (DHUDase) EL KOUNI MAHMOUD H (US) 2000-12-13 EP disclosed
US-5721241-A PYRIMIDINE COMPOUND USEFUL TO DISRUPT VIRAL, CANCER, FUNGAL, PARASITE OR BACTERIAL REPLICATION AND DIHYDROURACIL DEHYDROGENASE OR URIDINE PHOSPHORYLASE INHIBITORS el Kouni, Mahmoud H. (US) 1998-02-24 US disclosed
EP-0725641-A4 1996-09-04 EP disclosed
EP-0725641-A1 NOVEL ENZYME INHIBITORS, THEIR SYNTHESIS, AND METHODS FOR USE El Kouni, Mahmoud H. (US) 1996-08-14 EP disclosed
US-5476855-A Pyrimidine analogs and nucleosides el Kouni, Mahmoud H. (US) 1995-12-19 US disclosed
WO-1995012400-A1 NOVEL ENZYME INHIBITORS, THEIR SYNTHESIS, AND METHODS FOR USE UAB RESEARCH FOUNDATION (US) 1995-05-11 WO disclosed