SCHEMBL4763187

SCHEMBL4763187

O=C(O)c1ccc(Oc2ncccc2C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.55
MAPK1 P28482 2/20 0.55
USP2 O75604 1/20 0.55
PARP1 P09874 1/20 0.51
PARP14 Q460N5 1/20 0.51
PARP10 Q53GL7 1/20 0.51
KMT2A Q03164 3/20 0.50
SLC6A7 Q99884 3/20 0.50
MEN1 O00255 2/20 0.50
LMNA P02545 2/20 0.50
TSHR P16473 2/20 0.50
ALDH1A1 P00352 2/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
HSD17B10 Q99714 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.47
HSP90AA1 P07900 1/20 0.46

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
SCHEMBL8246475 0.90 ALDH1A1 (0.58) SMN1; SMN2PARP14PARP10SLC6A7ALDH1A1
SCHEMBL4764201 0.90 POLB (0.49) KMT2ASLC6A7MEN1LMNATSHR
SCHEMBL4762664 0.90 POLB (0.56) PARP14PARP10KMT2ASLC6A7MEN1
SCHEMBL4761143 0.87 SLC6A7 (0.49) KMT2ASLC6A7MEN1LMNATSHR
SCHEMBL4761369 0.86 POLB (0.52) PARP14PARP10KMT2ASLC6A7MEN1
SCHEMBL8245894 0.85 POLB (0.47) SMN1; SMN2MAPK1USP2KMT2ASLC6A7
SCHEMBL4762716 0.84 SMN1; SMN2 (0.51) SMN1; SMN2MAPK1KMT2ASLC6A7MEN1
SCHEMBL8250759 0.83 ALDH1A1 (0.57) SMN1; SMN2PARP14PARP10KMT2ASLC6A7
SCHEMBL4761009 0.83 MEN1 (0.56) SMN1; SMN2MAPK1KMT2AMEN1LMNA
SCHEMBL8239706 0.82 POLB (0.43) SMN1; SMN2KMT2ASLC6A7MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1907363-A1 PHENYL SUBSTITUTED PIPERAZINE-DERIVATIVES AS INHIBITORS OF PLAMINOGENIC ACTIVATOR INHIBITORS-I (PAI-I) Bayer HealthCare AG (DE) 2008-04-09 EP disclosed
WO-2007009635-A1 PHENYL SUBSTITUTED PIPERAZINE-DERIVATIVES AS INHIBITORS OF PLAMINOGENIC ACTIVATOR INHIBITORS-I (PAI-I) BAYER HEALTHCARE AG (DE) 2007-01-25 WO disclosed
WO-2007009635-A1 PHENYL SUBSTITUTED PIPERAZINE-DERIVATIVES AS INHIBITORS OF PLAMINOGENIC ACTIVATOR INHIBITORS-I (PAI-I) BAYER HEALTHCARE AG (DE) 2007-01-25 WO disclosed