SCHEMBL2654903

SCHEMBL2654903

CC(=NNc1ccc(OC(F)(F)F)cc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.49
MAPK1 P28482 9/20 0.48
TDP1 Q9NUW8 5/20 0.46
HTT P42858 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 2/20 0.46
LMNA P02545 3/20 0.43
ALDH1A1 P00352 3/20 0.43
DHODH Q02127 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
L3MBTL1 Q9Y468 4/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
AKR1C3 P42330 3/20 0.41
AKR1C2 P52895 3/20 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
SCHEMBL2654902 1.00 MAPT (0.49) MAPTMAPK1TDP1HTTKDM4E
SCHEMBL2970798 0.86 MAPT (0.55) MAPTMAPK1TDP1KDM4EGAA
SCHEMBL2970799 0.86 MAPT (0.55) MAPTMAPK1TDP1KDM4EGAA
SCHEMBL15563477 0.81 GAA (0.54) MAPTTDP1HTTGAAALDH1A1
SCHEMBL15563478 0.81 GAA (0.54) MAPTTDP1HTTGAAALDH1A1
SCHEMBL3483129 0.80 KMT2A (0.56) MAPTMAPK1HTTLMNAALDH1A1
SCHEMBL22398238 0.80 MAPT (0.51) MAPTMAPK1TDP1HTTKDM4E
SCHEMBL22398236 0.80 MAPT (0.51) MAPTMAPK1TDP1HTTKDM4E
SCHEMBL27597146 0.79 DHODH (0.53) MAPTMAPK1HTTGAAALDH1A1
SCHEMBL4301761 0.79 MAPT (0.69) MAPTMAPK1TDP1HTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074119-A1 INDOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-07-01 EP disclosed
WO-2008050821-A1 INDOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-02 WO disclosed