SCHEMBL8086941

SCHEMBL8086941

CCOC(=O)CCc1cs[c]n1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.45
CYP4A11 Q02928 3/20 0.45
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 2/20 0.38
GAA P10253 2/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP4Z1 Q86W10 1/20 0.37
KAT2B Q92831 1/20 0.35
PTPN1 P18031 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
SCHEMBL969213 0.83 MEN1 (0.51) MAPTMEN1KMT2ALMNAGAA
SCHEMBL972666 0.81 TSHR (0.41) CYP4F2CYP4A11MAPTMEN1KMT2A
SCHEMBL971226 0.79 ALDH1A1 (0.37) MEN1KMT2AALDH1A1HSD17B10CYP1A2
SCHEMBL29138552 0.74 CYP4F2 (0.45) CYP4F2CYP4A11MAPTMEN1KMT2A
SCHEMBL15415336 0.72 CYP4F2 (0.46) CYP4F2CYP4A11MAPTLMNAGAA
SCHEMBL1081996 0.72 MEN1 (0.54) CYP4F2CYP4A11MAPTMEN1KMT2A
SCHEMBL972811 0.71 ALDH1A1 (0.40) CYP4F2CYP4A11MAPTMEN1KMT2A
SCHEMBL972040 0.71 ALDH1A1 (0.39) LMNAALDH1A1HSD17B10CYP1A2
SCHEMBL10735324 0.71 CYP4F2 (0.49) CYP4F2CYP4A11MAPTMEN1KMT2A
SCHEMBL21063631 0.69 CYP4F2 (0.50) CYP4F2CYP4A11MAPTLMNAGAA

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-6080743-A AS CHEMICAL INTERMEIDATES FOR PREPARING DRUGS NOVARTIS AG (CH) 2000-06-27 US disclosed
EP-0853617-A1 NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES Novartis AG (CH) 1998-07-22 EP disclosed
WO-1997008155-A1 NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES NOVARTIS AG (CH) 1997-03-06 WO disclosed