SCHEMBL8240645

SCHEMBL8240645

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

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.55
LMNA P02545 2/20 0.55
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
MAPK1 P28482 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.49
NPC1 O15118 1/20 0.49
ATM Q13315 1/20 0.49
ENPP2 Q13822 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP3A4 P08684 2/20 0.47
UGCG Q16739 2/20 0.47
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 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
SCHEMBL8249882 0.91 KMT2A (0.57) TSHRLMNAKMT2AMEN1MAPK1
SCHEMBL8247078 0.90 TSHR (0.62) TSHRLMNAKMT2AMEN1MAPK1
SCHEMBL4761009 0.87 MEN1 (0.56) TSHRLMNAKMT2AMEN1MAPK1
SCHEMBL4762716 0.80 SMN1; SMN2 (0.51) TSHRLMNAKMT2AMEN1MAPK1
SCHEMBL8239706 0.78 POLB (0.43) KMT2AMEN1NPC1ENPP2SMN1; SMN2
SCHEMBL4722342 0.76 MEN1 (0.71) TSHRLMNAKMT2AMEN1MAPK1
SCHEMBL8250759 0.75 ALDH1A1 (0.57) TSHRLMNAKMT2AMEN1NPC1
SCHEMBL8245894 0.75 POLB (0.47) TSHRLMNAKMT2AMEN1MAPK1
SCHEMBL2781998 0.75 MRGPRX4 (0.56) KMT2AMEN1CYP3A4UGCG
SCHEMBL4761369 0.74 POLB (0.52) TSHRLMNAKMT2AMEN1NPC1

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