SCHEMBL6996885

SCHEMBL6996885

N#CCCNc1nc(CC(=O)O)c(-c2ccccc2)n(Cl)c1=O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
F7 P08709 17/20 0.37
F3 P13726 17/20 0.37
F2 P00734 13/20 0.37
PRSS1 P07477 1/20 0.37
PLAU P00749 2/20 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
SCHEMBL7456064 0.78 BRD4 (0.46) F7F3F2
SCHEMBL1734473 0.60 KDM4E (0.48) ALDH1A1SMN1; SMN2
SCHEMBL141474 0.57 GAA (0.58) ALDH1A1SMN1; SMN2
SCHEMBL9282392 0.56 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2
SCHEMBL8128443 0.56 MAPT (0.68)
SCHEMBL22261077 0.56 JAK3 (0.54) PLAU
SCHEMBL2850380 0.55 HPGD (0.60) ALDH1A1SMN1; SMN2
SCHEMBL11248471 0.55 GAA (0.46) ALDH1A1
SCHEMBL3455667 0.54 GAA (0.57) SMN1; SMN2PRSS1
SCHEMBL7504776 0.54 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2

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-1292579-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRAZINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE Pharmacia Corporation (US) 2003-03-19 EP disclosed
WO-2001087854-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRAZINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 WO disclosed