SCHEMBL9780409

SCHEMBL9780409

CCNS(=O)(=O)CCN(OC(F)(F)F)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NR3C2 P08235 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 2/20 0.32
CNR2 P34972 1/20 0.32
RORC P51449 2/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
ESR1 P03372 1/20 0.31
ABCC9 O60706 1/20 0.31
ABCC8 Q09428 1/20 0.31
KCNJ11 Q14654 1/20 0.31

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
SCHEMBL9780415 0.79 FAAH (0.37) KMT2AMEN1ALDH1A1LMNAGAA
SCHEMBL9780348 0.77 LTA4H (0.38) KMT2AMEN1ALDH1A1LMNAGAA
SCHEMBL14058643 0.74 TSHR (0.38) KMT2AMEN1ALDH1A1TSHRMAPK1
Hydrochloric Acid SCHEMBL28613980 0.73 ALDH1A1 (0.37) KMT2AMEN1ALDH1A1TSHRMAPK1
SCHEMBL8144722 0.72 SMN1; SMN2 (0.39) KMT2AMEN1ALDH1A1LMNAGAA
SCHEMBL9780419 0.69 KMT2A (0.34) KMT2AMEN1ALDH1A1TSHRMAPK1
SCHEMBL23929831 0.67 LTA4H (0.37) KMT2AMEN1LMNAGAAHTT
SCHEMBL3836194 0.66 MMP8 (0.58) KMT2AMEN1ALDH1A1POLB
SCHEMBL8907300 0.64 MEN1 (0.60) KMT2AMEN1ALDH1A1GAAPOLB
SCHEMBL4138448 0.64 POLQ (0.36) KMT2AMEN1ALDH1A1

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
US-5026717-A Glutamate inhibitors RHONE-POULENC SANTE (FR) 1991-06-25 US disclosed