SCHEMBL8249882

SCHEMBL8249882

O=C(O)c1ccc(Oc2ncccc2C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(F)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
MAPK1 P28482 1/20 0.57
TSHR P16473 3/20 0.56
LMNA P02545 2/20 0.56
ALDH1A1 P00352 1/20 0.52
ENPP2 Q13822 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
NPC1 O15118 1/20 0.49
ATM Q13315 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 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
SCHEMBL8240645 0.91 TSHR (0.55) KMT2AMEN1MAPK1TSHRLMNA
SCHEMBL8247078 0.91 TSHR (0.62) KMT2AMEN1MAPK1TSHRLMNA
SCHEMBL4761009 0.88 MEN1 (0.56) KMT2AMEN1MAPK1TSHRLMNA
SCHEMBL4762716 0.81 SMN1; SMN2 (0.51) KMT2AMEN1MAPK1TSHRLMNA
SCHEMBL4722342 0.79 MEN1 (0.71) KMT2AMEN1MAPK1TSHRLMNA
SCHEMBL8250759 0.76 ALDH1A1 (0.57) KMT2AMEN1TSHRLMNAALDH1A1
SCHEMBL8239706 0.73 POLB (0.43) KMT2AMEN1ALDH1A1ENPP2SMN1; SMN2
SCHEMBL8250463 0.73 HTT (0.60) KMT2AMEN1MAPK1TSHRLMNA
SCHEMBL4763187 0.72 SMN1; SMN2 (0.55) KMT2AMEN1MAPK1TSHRLMNA
SCHEMBL4763376 0.72 SLC6A7 (0.48) KMT2AMEN1TSHRLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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