SCHEMBL6845558

SCHEMBL6845558

O=c1ocnc2cscc12

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 2/20 0.38
NCOA1 Q15788 2/20 0.38
NCOA3 Q9Y6Q9 2/20 0.38
ELANE P08246 1/20 0.38
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
PPARG P37231 1/20 0.35
NCOA2 Q15596 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL11207150 0.73 ELANE (0.42) ALDH1A1ELANE
SCHEMBL10781415 0.71 ELANE (0.41) ALDH1A1ELANE
SCHEMBL16878221 0.69
SCHEMBL922667 0.68 ELANE (0.39) ELANE
SCHEMBL912750 0.68 ELANE (0.52) KDM4EALDH1A1ELANEHPGD
SCHEMBL6849374 0.67
SCHEMBL923447 0.67 ELANE (0.38) ELANE
SCHEMBL923606 0.64 KDM4C (0.53) KDM4EALDH1A1HTTNCOA1NCOA3
SCHEMBL13564437 0.63 ELANE (0.39) ELANE
SCHEMBL5793353 0.63 CHEK1 (0.50) KDM4EALDH1A1HTTNCOA1NCOA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1446125-A1 THIENO-(1,3)-OXAZIN-4-ONES WITH LIPASE INHIBITING ACTIVITY Alizyme Therapeutics Limited (GB) 2004-08-18 EP disclosed
WO-2003020282-A1 THIENO-(1,3)-OXAZIN-4-ONES WITH LIPASE INHIBITING ACTIVITY ALIZYME THERAPEUTICS LIMITED (GB) 2003-03-13 WO disclosed