SCHEMBL2495533

SCHEMBL2495533

O=c1[nH]cc(-c2cccs2)c(=O)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
TYMP P19971 1/20 0.50
KDM4E B2RXH2 4/20 0.44
PIM1 P11309 1/20 0.44
CHEK1 O14757 1/20 0.44
HPGD P15428 3/20 0.42
LMNA P02545 3/20 0.42
LTK P29376 1/20 0.41
CDK5 Q00535 1/20 0.41
MST1R Q04912 1/20 0.41
DYRK1A Q13627 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
HTT P42858 3/20 0.41
HSD17B10 Q99714 2/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.40
GLA P06280 1/20 0.40
CASP1 P29466 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL28891458 0.83 KDM4E (0.42) ALDH1A1TYMPKDM4EPIM1CHEK1
SCHEMBL5801644 0.73 ALDH1A1 (0.64) ALDH1A1LMNAHTTMAPTDPYD
SCHEMBL6535602 0.72 MAOB (0.44) ALDH1A1TYMPKDM4EPIM1CHEK1
SCHEMBL5069269 0.71 NPC1 (0.49) ALDH1A1KDM4EPIM1CHEK1HPGD
SCHEMBL1981532 0.70 LTK (0.56) ALDH1A1TYMPKDM4EPIM1CHEK1
SCHEMBL8936641 0.70 ALDH1A1 (0.47) ALDH1A1LMNAHTTKMT2AMAPT
SCHEMBL30709633 0.70 ALDH1A1 (0.47) ALDH1A1KDM4EPIM1HPGDLMNA
SCHEMBL3553811 0.70 ATAD2 (0.50) ALDH1A1LMNAHTTMAPTDPYD
SCHEMBL27817299 0.70 PARP1 (0.45) ALDH1A1TYMPKDM4EPIM1CHEK1
SCHEMBL3485414 0.69 ALDH1A1 (1.00) ALDH1A1TYMPKDM4EHPGDLMNA

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102441170-A Methods for administering DPD inhibitors in combination with 5-FU and 5-FU prodrugs ADHEREX TECHNOLOGIES INC 2012-05-09 CN claimed
CN-101068549-A Methods of administering DPD inhibitors in combination with 5-FU and 5-FU prodrugs ADHEREX TECHNOLOGIES INC (CA) 2007-11-07 CN claimed
WO-2007122634-A2 PYRIMIDINEDIONES AS TYROSINE KINASE INHIBITORS JUBILANT BIOSYS LIMITED (IN) 2007-11-01 WO claimed
WO-2006076102-A2 FLUORESCENT NUCLEOSIDE ANALOGS THAT MIMIC NATURALLY OCCURRING NUCLEOSIDES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-07-20 WO claimed
EP-3728237-B1 SUBSTITUTED THIOPHENYLURACILS , THEIR SALTS AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS SYNGENTA CROP PROTECTION AG (CH) 2022-02-09 EP disclosed
CN-111705329-B Electrochemical synthesis method of 5-arylthio uracil compound 湖南科技学院 2021-07-02 CN disclosed
CN-111705329-A Electrochemical synthesis method of 5-arylthio uracil compound 湖南科技学院 2020-09-25 CN disclosed
EP-2007750-B1 AZABICYCLO [3. 1. 0] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LTD (GB) 2013-08-21 EP disclosed
CN-102441170-A Methods for administering DPD inhibitors in combination with 5-FU and 5-FU prodrugs ADHEREX TECHNOLOGIES INC 2012-05-09 CN disclosed
US-8030322-B2 Spirocompounds useful as modulators for dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2011-10-04 US disclosed
US-8030322-B2 Spirocompounds useful as modulators for dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2011-10-04 US disclosed
US-8030322-B2 Spirocompounds useful as modulators for dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2011-10-04 US disclosed
US-20050037478-A1 Crystal structure of glutamate racemase (MurI) ASTRAZENECA AB (SE) 2005-02-17 US disclosed
WO-2004061097-A2 CRYSTAL STRUCTURE OF GLUTAMATE RACEMASE (MURI) ASTRAZENECA AB (SE) 2004-07-22 WO disclosed
US-5576429-A HUMAN T-CELL LEUKEMIA/LYMPHOMA VIRICIDE; ANTITUMOR AGENT MEDIVIR AB (SE) 1996-11-19 US disclosed
EP-0357571-B1 Pyrimidine nucleosides MEDIVIR AB (SE) 1996-04-03 EP disclosed
EP-0691333-A2 Pyrimidine derivatives, process for their preparation and their use as precursors Medivir Aktiebolag (SE) 1996-01-10 EP disclosed
US-5440040-A Drug for Aids therapy; viricides MEDIVIR AB (SE) 1995-08-08 US disclosed
EP-0357571-A2 Pyrimidine nucleosides Medivir Aktiebolag (SE) 1990-03-07 EP disclosed
WO-1989012061-A1 PYRIMIDINE NUCLEOSIDES AND INTERMEDIATES MEDIVIR AB (SE) 1989-12-14 WO disclosed