SCHEMBL7544529

SCHEMBL7544529

Cc1c(C(=O)O)[nH]c(=S)n(C)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 3/20 0.37
PTK2 Q05397 1/20 0.37
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 4/20 0.34
MAPT P10636 3/20 0.34
HPGD P15428 2/20 0.34
GPR35 Q9HC97 1/20 0.33
TNF P01375 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 3/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
TSHR P16473 2/20 0.32
MEN1 O00255 2/20 0.32
POLB P06746 2/20 0.32
HTT P42858 2/20 0.32
GAA P10253 1/20 0.32
RECQL P46063 1/20 0.32
MCL1 Q07820 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALOX15 P16050 1/20 0.31

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
SCHEMBL7546356 0.78 CYP1A2 (0.51) ALDH1A1HPGDTNFLMNAKMT2A
SCHEMBL31495905 0.67 GPR35 (0.45) PTK2KDM4EALDH1A1MAPTHPGD
SCHEMBL7553005 0.67 L3MBTL1 (0.43) PTK2KDM4EALDH1A1MAPTHPGD
SCHEMBL23923454 0.64 TYMP (0.35) PTK2KDM4EHPGDGPR35GAA
SCHEMBL7547639 0.63 KDM3B (0.46) KDM4EALDH1A1MAPTHPGDKMT2A
SCHEMBL2894307 0.61 JAK2 (0.57) PTK2KDM4EALDH1A1MAPTHPGD
SCHEMBL28389515 0.60 JAK2 (0.46) ALDH1A1MAPTLMNATSHRSMN1; SMN2
SCHEMBL4381730 0.60 ADORA2B (0.34) ALDH1A1MAPTLMNAKMT2ATSHR
SCHEMBL5513393 0.59 ALDH1A1 (0.63) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL6932287 0.58 ALDH1A1 (0.33) KDM4EALDH1A1MAPTHPGDLMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0896043-B1 Adhesive TOKUYAMA CORP (JP) 2002-10-23 EP disclosed
EP-0802194-B1 Novel thiouracil derivatives and metal surface-treating agent comprising thereof TOKUYAMA CORP (JP) 2002-06-19 EP disclosed
US-6133338-A TYPIFIED BY 6-METHACRYLOYLOXYHEXYL 2-THIOURACIL-5-CARBOXYLATE, A RADICAL-POLYMERIZABLE MONOMER, AND A POLYMERIZATION INITIATOR; DENTAL ADHESIVE; GOOD ADHESIVENESS TO NOBLE METALS AND ALLOYS THEREOF TOKUYAMA CORPORATION (JP) 2000-10-17 US disclosed
EP-0896043-A1 Adhesive TOKUYAMA CORPORATION (JP) 1999-02-10 EP disclosed
US-5795497-A Thiouracil derivatives and metal surface-treating agent comprising thereof TOKUYAMA CORPORATION (JP) 1998-08-18 US disclosed
EP-0802194-A2 Novel thiouracil derivatives and metal surface-treating agent comprising thereof TOKUYAMA CORPORATION (JP) 1997-10-22 EP disclosed