SCHEMBL4703363

SCHEMBL4703363

CCOC(=O)OC1CCN(c2nc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3Br)ccc2[N+](=O)[O-])CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.41
NFKBIA P25963 2/20 0.39
RELA Q04206 2/20 0.39
PARP14 Q460N5 1/20 0.37
EPHX2 P34913 1/20 0.36
MMP2 P08253 1/20 0.36
MAPT P10636 4/20 0.36
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SLC40A1 Q9NP59 1/20 0.35
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL389331 0.90 MAPT (0.46) SERPINE1NFKBIARELAEPHX2MAPT
SCHEMBL4706506 0.82 P2RY12 (0.42) SERPINE1MAPTALDH1A1MEN1KMT2A
SCHEMBL5577912 0.77 CTSB (0.43) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL4704913 0.75 SERPINE1 (0.40) SERPINE1MAPTALDH1A1KMT2ACYP3A4
SCHEMBL4704963 0.75 THRB (0.41) SERPINE1MAPTALDH1A1MEN1KMT2A
SCHEMBL4704834 0.72 SERPINE1 (0.38) SERPINE1MAPTALDH1A1KMT2AGPR119
SCHEMBL388686 0.71 MAPT (0.50) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL4706555 0.71 GPR119 (0.44) MMP2MAPTALDH1A1MEN1KMT2A
SCHEMBL4704377 0.68 GPR119 (0.42) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL5263920 0.68 GPR119 (0.62) GPR119

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
EP-1606282-B1 PHENYL- AND PYRIDYLPIPEREIDINYE-DERIVATIVES AS MODULATORS OF GLUCOSE METABOLISM ARENA PHARM INC (US) 2008-11-12 EP claimed