SCHEMBL6976914

SCHEMBL6976914

N=C(N)Nc1ncc(Cl)c2ccc(S(=O)(=O)N3CCCC[C@H]3OC(=O)O)cc12

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLAU P00749 14/20 0.55
RECQL P46063 1/20 0.41
TSHR P16473 2/20 0.40
LMNA P02545 1/20 0.39
PLG P00747 3/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
PLAT P00750 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL6434405 0.88 PLAU (0.71) PLAURECQLTSHRLMNA
SCHEMBL7375712 0.88 PLAU (0.71) PLAURECQLTSHRLMNA
Hydrochloric Acid SCHEMBL6435890 0.87 PLAU (0.70) PLAURECQLTSHRLMNA
SCHEMBL6434295 0.85 PLAU (0.70) PLAURECQLTSHRLMNAHCRTR1
Hydrochloric Acid SCHEMBL6433821 0.84 PLAU (0.69) PLAURECQLTSHRLMNAHCRTR1
Hydrochloric Acid SCHEMBL6434259 0.84 PLAU (0.69) PLAURECQLTSHRLMNAHCRTR1
SCHEMBL6437421 0.84 PLAU (0.70) PLAURECQLTSHRLMNAHCRTR1
SCHEMBL6977697 0.82 PLAU (0.55) PLAURECQLTSHRLMNAHCRTR1
SCHEMBL6434509 0.81 PLAU (0.65) PLAULMNA
SCHEMBL6977110 0.80 PLAU (0.71) PLAURECQLMEN1KMT2A

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-1077945-B1 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER (US) 2003-01-08 EP claimed