SCHEMBL7363778

SCHEMBL7363778

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
MAPT P10636 2/20 0.53
EEF2K O00418 3/20 0.53
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
PSMB8 P28062 1/20 0.46
PSMB5 P28074 1/20 0.46
CNR1 P21554 4/20 0.46
CNR2 P34972 4/20 0.46
ADAMTS4 O75173 2/20 0.44
MMP13 P45452 2/20 0.44
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
POLB P06746 1/20 0.41
GRK2 P25098 1/20 0.41
DUSP3 P51452 1/20 0.41
PTPN5 P54829 1/20 0.41
PTPN11 Q06124 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
SCHEMBL7460104 0.95 EEF2K (0.59) ALDH1A1MAPTEEF2KKMT2AMEN1
SCHEMBL7365176 0.84 ALDH1A1 (0.45) ALDH1A1MAPTEEF2KKMT2AMEN1
SCHEMBL29024564 0.78 EEF2K (0.76) ALDH1A1EEF2KCNR1CNR2ADAMTS4
SCHEMBL11563720 0.78 KMT2A (0.52) ALDH1A1MAPTKMT2AMEN1ATM
SCHEMBL7194134 0.77 MAPT (0.59) ALDH1A1MAPTEEF2KKMT2AMEN1
SCHEMBL3837360 0.77 ALDH1A1 (0.54) ALDH1A1MAPTEEF2KKMT2AMEN1
SCHEMBL7450718 0.76 CTSL (0.52) PSMB8PSMB5CNR1CNR2ADAMTS4
SCHEMBL29024588 0.76 EEF2K (0.62) ALDH1A1EEF2KCNR1CNR2ADAMTS4
SCHEMBL27228886 0.76 ALDH1A1 (0.51) ALDH1A1MAPTEEF2KKMT2AMEN1
SCHEMBL3839370 0.76 ALDH1A1 (0.76) ALDH1A1MAPTEEF2KKMT2AMEN1

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
EP-0892780-B1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-11-20 EP disclosed
EP-0892780-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1999-01-27 EP disclosed
WO-1997030971-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-28 WO disclosed