SCHEMBL4761009

SCHEMBL4761009

O=C(O)c1ccc(Oc2ncccc2C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
MAPK1 P28482 1/20 0.56
LMNA P02545 4/20 0.55
TSHR P16473 3/20 0.55
ENPP2 Q13822 2/20 0.52
MAPT P10636 3/20 0.52
HTT P42858 3/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C9 P11712 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
GAA P10253 1/20 0.52
CYP2C19 P33261 1/20 0.52
GPBAR1 Q8TDU6 1/20 0.51
SERPINE1 P05121 1/20 0.51
POLB P06746 1/20 0.51
TP53 P04637 2/20 0.51
ALDH1A1 P00352 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL4762716 0.93 SMN1; SMN2 (0.51) MEN1KMT2AMAPK1LMNATSHR
SCHEMBL8249882 0.88 KMT2A (0.57) MEN1KMT2AMAPK1LMNATSHR
SCHEMBL8240645 0.87 TSHR (0.55) MEN1KMT2AMAPK1LMNATSHR
SCHEMBL8247078 0.87 TSHR (0.62) MEN1KMT2AMAPK1LMNATSHR
SCHEMBL8250759 0.86 ALDH1A1 (0.57) MEN1KMT2ALMNATSHRMAPT
SCHEMBL8239706 0.85 POLB (0.43) MEN1KMT2AENPP2MAPTHTT
SCHEMBL4763376 0.84 SLC6A7 (0.48) MEN1KMT2ALMNATSHRENPP2
SCHEMBL8250463 0.83 HTT (0.60) MEN1KMT2AMAPK1LMNATSHR
SCHEMBL4761369 0.83 POLB (0.52) MEN1KMT2ALMNATSHRENPP2
SCHEMBL4763187 0.83 SMN1; SMN2 (0.55) MEN1KMT2AMAPK1LMNATSHR

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