SCHEMBL8608271

SCHEMBL8608271

CNC(=O)N(O)CC#Cc1ccc(F)c(C2=N[C@H](c3ccccc3)CO2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.37
POLB P06746 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALOX5 P09917 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MAPT P10636 2/20 0.34
KIF11 P52732 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
MDM2 Q00987 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
SCHEMBL8607936 0.88 ALOX5 (0.44) MEN1KMT2ALMNAGAAPOLB
SCHEMBL4729170 0.85 NPC1 (0.45) MEN1KMT2ALMNAGAAPOLB
SCHEMBL4729172 0.85 NPC1 (0.45) MEN1KMT2ALMNAGAAPOLB
SCHEMBL8609409 0.85 NPC1 (0.45) MEN1KMT2ALMNAGAAPOLB
SCHEMBL8613457 0.76 NPC1 (0.44) MEN1KMT2ALMNAGAAPOLB
SCHEMBL8609455 0.75 NPC1 (0.43) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL8309228 0.72 ALOX5 (0.51) MEN1KMT2ALMNAGAAPOLB
SCHEMBL8309230 0.72 ALOX5 (0.51) MEN1KMT2ALMNAGAAPOLB
SCHEMBL8610041 0.72 ALOX5 (0.51) MEN1KMT2ALMNAGAAPOLB
SCHEMBL4728458 0.71 ALOX5 (0.38) MEN1KMT2ALMNAGAAPOLB

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-5814648-A N-hydroxyureas as antiinflammatory agents PFIZER INC. (US) 1998-09-29 US disclosed