SCHEMBL8185683

SCHEMBL8185683

CCOC(=O)c1cnc(NCC(=O)NCCc2ccc(F)cc2)c(I)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
MAPT P10636 2/20 0.48
POLB P06746 1/20 0.48
LMNA P02545 3/20 0.48
HPGD P15428 1/20 0.44
P2RY12 Q9H244 3/20 0.43
F2 P00734 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
CASP3 P42574 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
ADORA1 P30542 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL8182974 0.90 P2RY12 (0.50) KMT2AMEN1MAPTPOLBLMNA
SCHEMBL13428812 0.89 P2RY12 (0.51) KMT2AMEN1MAPTPOLBLMNA
SCHEMBL8179128 0.81 HPGD (0.44) KMT2APOLBLMNAHPGDF2
SCHEMBL8182256 0.79 P2RY12 (0.40) KMT2AMEN1MAPTPOLBHPGD
SCHEMBL8179579 0.79 CHRNA7 (0.46) KMT2AMEN1MAPTHPGDP2RY12
SCHEMBL13428802 0.78 P2RY12 (0.59) MAPTPOLBLMNAHPGDP2RY12
SCHEMBL31141621 0.77 MEN1 (0.57) KMT2AMEN1MAPTPOLBLMNA
SCHEMBL8187060 0.75 HDAC1 (0.52) KMT2AMAPTPOLBLMNAL3MBTL1
SCHEMBL8187389 0.72 ALDH1A1 (0.52) KMT2AMEN1MAPTHPGDP2RY12
SCHEMBL13428528 0.72 LMNA (0.44) KMT2ALMNAHPGDALDH1A1GAA

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
WO-2008075757-A1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2008-06-26 WO disclosed