SCHEMBL8961335

SCHEMBL8961335

N#CNC(=O)c1ccc[c]c1F

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 4/20 0.32
NPC1 O15118 3/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.31
KAT6A Q92794 2/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 2/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
LMNA P02545 2/20 0.30
TP53 P04637 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 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
SCHEMBL28820113 0.79 GAA (0.56) GAAKMT2AMEN1TDP1ALDH1A1
SCHEMBL11044094 0.77 KMT2A (0.46) GAAKMT2AMEN1TDP1ALDH1A1
SCHEMBL17099930 0.77 GAA (0.58) GAAKMT2AMEN1TDP1ALDH1A1
SCHEMBL17099947 0.75 GAA (0.56) GAAKMT2AMEN1TDP1ALDH1A1
SCHEMBL1905760 0.75 ALDH1A1 (0.56) GAAKMT2AMEN1TDP1ALDH1A1
SCHEMBL3093108 0.74 ALDH1A1 (0.48) GAATDP1ALDH1A1MAPTHPGD
SCHEMBL8961339 0.72 GAA (0.33) GAAKMT2AMEN1TDP1ALDH1A1
SCHEMBL4049574 0.72 TSHR (0.50) GAAKMT2ATDP1ALDH1A1NPC1
SCHEMBL4281712 0.72 KMT2A (0.38) GAAKMT2AMEN1TDP1ALDH1A1
SCHEMBL3980872 0.72 KDM4E (0.43) GAAALDH1A1NPC1MAPTHPGD

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-0694053-A1 WATER-SOLUBLE FIBER-REACTIVE DYES, PROCESS FOR PRODUCING THE SAME AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1996-01-31 EP disclosed
WO-1994024214-A1 WATER-SOLUBLE FIBER-REACTIVE DYES, PROCESS FOR PRODUCING THE SAME AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1994-10-27 WO disclosed