SCHEMBL7546356

SCHEMBL7546356

CCOC(=O)c1[nH]c(=S)n(C)c(=O)c1C

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HPGD P15428 3/20 0.49
LMNA P02545 1/20 0.47
ALDH1A1 P00352 4/20 0.46
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
TNF P01375 1/20 0.42
TSHR P16473 2/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL10864007 0.79 CYP1A2 (0.45) CYP1A2CYP2C9CYP2C19HPGDLMNA
SCHEMBL7545216 0.79 TSHR (0.43) CYP1A2CYP2C9CYP2C19LMNAALDH1A1
SCHEMBL10866361 0.78 CYP1A2 (0.44) CYP1A2CYP2C9CYP2C19HPGDLMNA
SCHEMBL10864339 0.77 CYP1A2 (0.42) CYP1A2CYP2C9CYP2C19HPGDLMNA
SCHEMBL11652356 0.73 CYP1A2 (0.80) CYP1A2CYP2C9CYP2C19HPGDLMNA
SCHEMBL10598450 0.72 KMT2A (0.47) CYP1A2CYP2C9CYP2C19HPGDLMNA
SCHEMBL7544489 0.72 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19HPGDLMNA
SCHEMBL7543900 0.71 ALDH1A1 (0.49) CYP1A2CYP2C19HPGDLMNAALDH1A1
SCHEMBL10595042 0.70 KMT2A (0.45) CYP1A2CYP2C9CYP2C19HPGDLMNA
SCHEMBL10597066 0.69 KMT2A (0.44) CYP1A2CYP2C9CYP2C19HPGDLMNA

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