SCHEMBL20104790

SCHEMBL20104790

CC(=O)CO/N=C/c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.56
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
PLA2G7 Q13093 1/20 0.50
LMNA P02545 5/20 0.49
SMN1; SMN2 Q16637 6/20 0.47
ALDH1A1 P00352 3/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GPR55 Q9Y2T6 1/20 0.44
GLA P06280 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GALR3 O60755 1/20 0.43
NR2F2 P24468 1/20 0.43
GAA P10253 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
FAAH O00519 1/20 0.43

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
SCHEMBL8613027 0.85 ATM (0.59) ATMMEN1KMT2APLA2G7LMNA
SCHEMBL8291064 0.85 ATM (0.59) ATMMEN1KMT2APLA2G7LMNA
SCHEMBL12705075 0.83 SMN1; SMN2 (0.54) ATMMEN1KMT2APLA2G7LMNA
SCHEMBL19303426 0.83 SMN1; SMN2 (0.48) ATMMEN1KMT2ALMNASMN1; SMN2
SCHEMBL13025225 0.83 SMN1; SMN2 (0.54) ATMMEN1KMT2APLA2G7LMNA
SCHEMBL21026012 0.82 ATM (0.56) ATMMEN1KMT2APLA2G7LMNA
SCHEMBL23992348 0.81 SMN1; SMN2 (0.69) ATMMEN1KMT2APLA2G7LMNA
SCHEMBL19303424 0.81 ATM (0.52) ATMMEN1KMT2APLA2G7LMNA
SCHEMBL22641760 0.79 SMN1; SMN2 (0.45) ATMMEN1KMT2ALMNASMN1; SMN2
SCHEMBL213322 0.76 PLA2G7 (0.65) MEN1KMT2APLA2G7ALDH1A1RAB9A

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
EP-2459565-B1 SAXITOXIN DERIVATIVES, METHODS AND COMPOSITIONS FOR STUDYING, IMAGING, AND TREATING PAIN UNIV LELAND STANFORD JUNIOR (US) 2018-05-02 EP disclosed