SCHEMBL4558496

SCHEMBL4558496

C[C@H](Nc1cccc(NC(=N)N)c1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GPR35 Q9HC97 1/20 0.42
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
F2 P00734 1/20 0.40
PLG P00747 1/20 0.40
PLAU P00749 1/20 0.40
PLAT P00750 1/20 0.40
KLKB1 P03952 1/20 0.40
PRSS1 P07477 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
ALDH1A1 P00352 3/20 0.40
CA12 O43570 1/20 0.40

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
SCHEMBL8547309 0.84 CA1 (0.42) MEN1KMT2AF2PRSS1ITGB3
SCHEMBL6775524 0.83 ALDH1A1 (0.54) MEN1KMT2AALDH1A1MAPTHSD17B10
SCHEMBL202931 0.82 ITGB3 (0.51) F2PLGPLAUPLATKLKB1
SCHEMBL8758371 0.79 KDM4E (0.42) SMN1; SMN2KDM4EGPR35MEN1KMT2A
SCHEMBL8758378 0.79 KDM4E (0.42) SMN1; SMN2KDM4EGPR35MEN1KMT2A
SCHEMBL27999432 0.78 PARP1 (0.50) MEN1KMT2A
SCHEMBL11441110 0.78 ALDH1A1 (0.54) SMN1; SMN2KDM4EMEN1KMT2AALDH1A1
SCHEMBL9706327 0.78 ALDH1A1 (0.54) SMN1; SMN2KDM4EMEN1KMT2AALDH1A1
SCHEMBL14535305 0.77 MEN1 (0.50) SMN1; SMN2KDM4EMEN1KMT2AALDH1A1
SCHEMBL17785165 0.76 KMT2A (0.58) SMN1; SMN2MEN1KMT2AALDH1A1MAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1511721-B1 GUANIDINO PHENYLALANIN COMPOUNDS USED AS UROKINASE INHIBITORS WILEX AG (DE) 2009-07-01 EP disclosed
EP-1511721-A2 GUANIDINO PHENYLALANIN COMPOUNDS USED AS UROKINASE INHIBITORS Wilex AG (DE) 2005-03-09 EP disclosed
WO-2003103644-A3 GUANIDINO PHENYLALANIN COMPOUNDS USED AS UROKINASE INHIBITORS WILEX AG (DE) 2004-04-01 WO disclosed
WO-2003103644-A2 GUANIDINO PHENYLALANIN COMPOUNDS USED AS UROKINASE INHIBITORS WILEX AG (DE) 2003-12-18 WO disclosed