SCHEMBL4016010

SCHEMBL4016010

Nc1cccc(C(F)(F)F)c1-c1ccccc1COCCN(Cc1ccccn1)Cc1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LIN28A Q9H9Z2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SLC1A5 Q15758 1/20 0.33
CHRNA7 P36544 3/20 0.32
CRHR1 P34998 1/20 0.32
IDO1 P14902 2/20 0.32
PIP4K2C Q8TBX8 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
MAOB P27338 1/20 0.31
CXCR4 P61073 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL13768445 0.70 ALDH1A1 (0.43) MAPTSMN1; SMN2LIN28ATDP1LMNA
SCHEMBL13768806 0.68 MAPT (0.62) MAPTSMN1; SMN2LIN28ATDP1SLC1A5
SCHEMBL13768698 0.67 ALDH1A1 (0.49) MAPTSMN1; SMN2LIN28ATDP1SLC1A5
SCHEMBL12977564 0.65 TDP1 (0.66) MAPTSMN1; SMN2LIN28ATDP1KDM4E
SCHEMBL4474970 0.65 MAPT (0.59) MAPTSMN1; SMN2LIN28ATDP1SLC1A5
SCHEMBL3791451 0.64 ALDH1A1 (0.46) TDP1TSHR
SCHEMBL13768808 0.64 MAPT (0.64) MAPTSMN1; SMN2LIN28ATDP1SLC1A5
SCHEMBL29407086 0.63 MAPT (0.78) MAPTSMN1; SMN2LIN28ATDP1CXCR4
SCHEMBL57060 0.63 MAPT (0.78) MAPTSMN1; SMN2LIN28ATDP1CXCR4
SCHEMBL231092 0.63 TDP1 (1.00) MAPTSMN1; SMN2LIN28ATDP1MAOB

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
WO-2009084737-A1 COMPOUND HAVING ACTIVITY TO SUPPRESS DEGRANULATION AND CYTOKINE PRODUCTION AND USE THEREOF INTERPROTEIN CORPORATION (JP) 2009-07-09 WO claimed
WO-2009084737-A1 COMPOUND HAVING ACTIVITY TO SUPPRESS DEGRANULATION AND CYTOKINE PRODUCTION AND USE THEREOF INTERPROTEIN CORPORATION (JP) 2009-07-09 WO disclosed