SCHEMBL6505797

SCHEMBL6505797

Nc1cc(F)c(F)cc1N.Nc1cc(F)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
TDP1 Q9NUW8 5/20 0.50
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
POLB P06746 2/20 0.50
TSHR P16473 2/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.50
MCL1 Q07820 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
ATM Q13315 1/20 0.45
HIF1A Q16665 1/20 0.44
LMNA P02545 1/20 0.43
GPR35 Q9HC97 1/20 0.41
VCAM1 P19320 1/20 0.41

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
SCHEMBL199359 0.98 MAPT (0.52) MAPTTDP1ALDH1A1MEN1KMT2A
SCHEMBL29665784 0.98 MAPT (0.52) MAPTTDP1ALDH1A1MEN1KMT2A
SCHEMBL30110723 0.89 TDP1 (0.52) MAPTTDP1ALDH1A1MEN1KMT2A
SCHEMBL564506 0.89 TDP1 (0.52) MAPTTDP1ALDH1A1MEN1KMT2A
SCHEMBL14247146 0.87 MAPT (0.50) MAPTTDP1ALDH1A1MEN1KMT2A
SCHEMBL8095561 0.87 MAPT (0.50) MAPTTDP1ALDH1A1MEN1KMT2A
SCHEMBL3990674 0.84 TDP1 (0.52) MAPTTDP1ALDH1A1MEN1KMT2A
SCHEMBL29595940 0.84 TDP1 (0.52) MAPTTDP1ALDH1A1MEN1KMT2A
SCHEMBL8698196 0.83 TDP1 (0.50) MAPTTDP1ALDH1A1MEN1KMT2A
SCHEMBL7521966 0.82 TSHR (0.77) MAPTTDP1ALDH1A1MEN1KMT2A

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-2005019168-A2 FLUORINATED LYSINE DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS PFIZER PRODUCTS INC. (US) 2005-03-03 WO disclosed