SCHEMBL8189381

SCHEMBL8189381

CN(C)CCCNc1ncc(/C=C/C(=O)NOC2CCCCO2)cc1I

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
TGFBR1 P36897 1/20 0.34
PIM2 Q9P1W9 1/20 0.33
FOXO1 Q12778 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32
BCHE P06276 6/20 0.31
HDAC1 Q13547 1/20 0.31
ACHE P22303 5/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CCNA1 P78396 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 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
SCHEMBL13428522 0.90 CCNA2 (0.36) ALDH1A1KDM4EHPGDTGFBR1PIM2
SCHEMBL8173598 0.87 TGFBR1 (0.35) TGFBR1CCNA2CDK2CCNA1CDK5
SCHEMBL8173594 0.86 TGFBR1 (0.34) ALDH1A1KDM4EHPGDTGFBR1MEN1
SCHEMBL13428566 0.85 CCNA2 (0.35) ALDH1A1KDM4EHPGDTGFBR1FOXO1
SCHEMBL8179269 0.84 ALDH1A1 (0.34) ALDH1A1KDM4EHPGDTGFBR1RAB9A
SCHEMBL8189383 0.83 TGFBR1 (0.34) ALDH1A1HPGDTGFBR1MEN1KMT2A
SCHEMBL8183546 0.81 KMT2A (0.37) TGFBR1MEN1NPC1RAB9AKMT2A
SCHEMBL8185667 0.81 P2RX3 (0.35) ALDH1A1KDM4EHPGDTGFBR1MEN1
SCHEMBL13428523 0.77 MCHR1 (0.37) ALDH1A1KDM4EHPGDTGFBR1MEN1
SCHEMBL8178636 0.77 TGFBR1 (0.37) ALDH1A1HPGDTGFBR1NPC1RAB9A

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