SCHEMBL2369294

SCHEMBL2369294

CCC(C)OC(=O)C(C(=O)O)c1nc(NCc2cccc(C)n2)c2c(-c3ccc(F)cc3)csc2n1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 3/20 0.36
ESR1 P03372 4/20 0.34
ALDH1A1 P00352 4/20 0.33
MAPK1 P28482 2/20 0.33
TNF P01375 1/20 0.33
NOD1 Q9Y239 1/20 0.33
PTPN1 P18031 1/20 0.33
SCN9A Q15858 1/20 0.33
LMNA P02545 4/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
SIRT5 Q9NXA8 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL3415890 0.94 ESR1 (0.40) ESR1ALDH1A1MAPK1TNFNOD1
SCHEMBL3386708 0.90 TNF (0.46) TGM2ESR1ALDH1A1MAPK1TNF
Butane SCHEMBL6359950 0.89 ESR1 (0.38) TGM2ESR1ALDH1A1MAPK1TNF
SCHEMBL2369286 0.88 PRKCZ (0.37) ESR1ALDH1A1MAPK1TNFNOD1
SCHEMBL3383464 0.87 CLK4 (0.37) ALDH1A1MAPK1LMNAMAPTSMN1; SMN2
SCHEMBL3384949 0.87 BCL2 (0.33) ALDH1A1SCN9ALMNAMAPTSMN1; SMN2
SCHEMBL2368555 0.84 TNF (0.52) ESR1ALDH1A1MAPK1TNFNOD1
SCHEMBL3415878 0.82 ESR1 (0.44) ESR1ALDH1A1MAPK1TNFNOD1
SCHEMBL2368960 0.81 ESR1 (0.39) TGM2ESR1ALDH1A1MAPK1TNF
SCHEMBL3386501 0.80 PRKCI (0.36) TGM2ESR1ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8022076-B2 Thieno[2,3-d]pyrimidine derivatives as potassium channel modulators; antiarrhythmia agents XENTION LIMITED (GB) 2011-09-20 US disclosed
EP-1641803-B3 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS XENTION LTD (GB) 2010-12-08 EP disclosed
EP-1641803-B1 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS XENTION LTD (GB) 2009-03-18 EP disclosed