SCHEMBL4761369

SCHEMBL4761369

O=C(O)c1ccc(Oc2ncccc2C(=O)N2CCN(c3cc(Cl)cc(Cl)c3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
MAPT P10636 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPC1 O15118 1/20 0.48
SLC6A7 Q99884 1/20 0.48
ALDH1A1 P00352 3/20 0.47
RAB9A P51151 1/20 0.46
ENPP2 Q13822 4/20 0.46
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PARP14 Q460N5 1/20 0.44
PARP10 Q53GL7 1/20 0.44

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
SCHEMBL4762664 0.92 POLB (0.56) POLBMAPTMEN1KMT2ANPC1
SCHEMBL8245894 0.89 POLB (0.47) POLBMAPTMEN1KMT2ANPC1
SCHEMBL4762716 0.86 SMN1; SMN2 (0.51) POLBMAPTMEN1KMT2ASLC6A7
SCHEMBL4764201 0.86 POLB (0.49) POLBMAPTMEN1KMT2ANPC1
SCHEMBL4761689 0.86 POLB (0.52) POLBMAPTMEN1KMT2ANPC1
SCHEMBL4763187 0.86 SMN1; SMN2 (0.55) MAPTMEN1KMT2ASLC6A7ALDH1A1
SCHEMBL8246475 0.86 ALDH1A1 (0.58) POLBMAPTSLC6A7ALDH1A1TP53
SCHEMBL8250759 0.85 ALDH1A1 (0.57) MAPTMEN1KMT2ANPC1SLC6A7
SCHEMBL8239706 0.84 POLB (0.43) POLBMAPTMEN1KMT2ANPC1
SCHEMBL4761143 0.83 SLC6A7 (0.49) POLBMAPTMEN1KMT2ASLC6A7

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