SCHEMBL7374876

SCHEMBL7374876

C[C@@H](C(=O)OC(C)(C)C)N(Cc1ccccc1)S(=O)(=O)c1ccc2c(NC(N)=NCl)cncc2c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.46
NAMPT P43490 1/20 0.37
HTT P42858 1/20 0.37
ADAMTS4 O75173 1/20 0.35
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP13 P45452 1/20 0.34

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
Hydrochloric Acid SCHEMBL7380544 0.89 PLAU (0.55) PLAUNAMPTHTTADAMTS4MMP2
SCHEMBL7049646 0.85 PLAU (0.43) PLAUMMP2MMP9MMP8MMP13
SCHEMBL6437337 0.83 PLAU (0.45) PLAUNAMPTHTTADAMTS4MMP2
SCHEMBL7363440 0.81 POLB (0.40) ADAMTS4MMP2MMP9
SCHEMBL7048344 0.80 PLAU (0.42) PLAUHTT
SCHEMBL7366260 0.79 PLAU (0.39) PLAU
SCHEMBL7375649 0.79 NR1D1 (0.35) PLAUMMP2MMP9MMP8MMP13
SCHEMBL7377977 0.79 PLAU (0.36) PLAUNAMPTHTTMMP2MMP9
SCHEMBL7050066 0.78 PLAU (0.39) PLAUHTT
SCHEMBL7378343 0.78 PDE4A (0.41) PLAUNAMPTMMP2MMP9MMP8

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