SCHEMBL7375649

SCHEMBL7375649

CC(C)(C)OC(=O)CN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc2c(NC(N)=NCl)cncc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 2/20 0.35
ALDH1A1 P00352 7/20 0.34
KDM4E B2RXH2 2/20 0.34
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
PLAU P00749 3/20 0.32
MMP1 P03956 2/20 0.32
MMP2 P08253 2/20 0.32
MMP9 P14780 2/20 0.32
MMP8 P22894 2/20 0.32
MMP13 P45452 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
MAPT P10636 1/20 0.31
LMNA P02545 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL7050066 0.92 PLAU (0.39) ALDH1A1PLAUMEN1KMT2AMAPT
SCHEMBL7049646 0.92 PLAU (0.43) NR1D1ALDH1A1PLAUMMP1MMP2
SCHEMBL7377977 0.92 PLAU (0.36) NR1D1ALDH1A1KDM4EPLAUMMP1
SCHEMBL7369748 0.91 PLG (0.44) ALDH1A1PLAUPLG
SCHEMBL7053013 0.90 PLG (0.43) ALDH1A1PLAUPLG
SCHEMBL7367643 0.90 ALDH1A1 (0.41) ALDH1A1MMP1MMP2MMP9MMP8
SCHEMBL7378343 0.90 PDE4A (0.41) NR1D1ALDH1A1PDK1PDK2PDK3
SCHEMBL6436326 0.90 SMN1; SMN2 (0.37) NR1D1ALDH1A1KDM4EPLAUMMP1
SCHEMBL7371411 0.90 MAPT (0.39) NR1D1PLAUMMP1MMP2MMP9
SCHEMBL7378428 0.89 PDE4A (0.38) NR1D1ALDH1A1PDK1PDK2PDK3

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-1077945-A1 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER INC. (US) 2001-02-28 EP disclosed
WO-2000005214-A2 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER INC. (US) 2000-02-03 WO disclosed