SCHEMBL7460104

SCHEMBL7460104

CCOC(=O)CC(NS(=O)(=O)c1ccc(C#N)cc1)c1cccc(C#N)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EEF2K O00418 3/20 0.59
ALDH1A1 P00352 2/20 0.54
MAPT P10636 2/20 0.54
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CNR1 P21554 3/20 0.46
CNR2 P34972 3/20 0.46
MMP13 P45452 3/20 0.45
ADAMTS4 O75173 2/20 0.45
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
MMP1 P03956 2/20 0.42
MMP2 P08253 2/20 0.42
MMP3 P08254 2/20 0.42
MMP7 P09237 2/20 0.42
MMP9 P14780 2/20 0.42
POLB P06746 1/20 0.41
GRK2 P25098 1/20 0.41

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
SCHEMBL7363778 0.95 ALDH1A1 (0.53) EEF2KALDH1A1MAPTMEN1KMT2A
SCHEMBL7365176 0.85 ALDH1A1 (0.45) EEF2KALDH1A1MAPTMEN1KMT2A
SCHEMBL29024564 0.79 EEF2K (0.76) EEF2KALDH1A1CNR1CNR2ADAMTS4
SCHEMBL7194134 0.78 MAPT (0.59) EEF2KALDH1A1MAPTMEN1KMT2A
SCHEMBL3837360 0.78 ALDH1A1 (0.54) EEF2KALDH1A1MAPTMEN1KMT2A
SCHEMBL29024588 0.77 EEF2K (0.62) EEF2KALDH1A1CNR1CNR2MMP13
SCHEMBL3839370 0.76 ALDH1A1 (0.76) EEF2KALDH1A1MAPTMEN1KMT2A
SCHEMBL7360595 0.76 PDCD1 (0.50) CNR2L3MBTL1PDCD1CD274KCNA5
SCHEMBL7460113 0.76 BACE1 (0.52) EEF2KCNR1CNR2MMP13ADAMTS4
SCHEMBL6329440 0.75 PDCD1 (0.49) CNR2PDCD1CD274KCNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0892780-B1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-11-20 EP disclosed