SCHEMBL8185673

SCHEMBL8185673

CC(C)(N)CCNc1ncc(/C=C/C(=O)O)cc1I

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 2/20 0.38
P4HTM Q9NXG6 1/20 0.36
KDM4E B2RXH2 2/20 0.35
PIM2 Q9P1W9 7/20 0.34
PIM1 P11309 2/20 0.33
CYP26A1 O43174 1/20 0.33
CYP26B1 Q9NR63 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GCK P35557 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SNCA P37840 1/20 0.32
CHEK1 O14757 1/20 0.32
FLT3 P36888 1/20 0.32

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
SCHEMBL8179189 0.81 RAB9A (0.39) RAB9AALDH1A1P4HTMKDM4EPIM2
SCHEMBL8179173 0.77 PIM1 (0.40) RAB9AALDH1A1KDM4EPIM2PIM1
SCHEMBL8179191 0.77 RAB9A (0.34) RAB9AALDH1A1P4HTMKDM4ESMN1; SMN2
SCHEMBL8173598 0.77 TGFBR1 (0.35)
SCHEMBL8171035 0.75 SMN1; SMN2 (0.48) RAB9AALDH1A1KDM4EPIM2PIM1
SCHEMBL8171132 0.74 AKR1C3 (0.39) RAB9AALDH1A1P4HTMKDM4EPIM2
SCHEMBL8179174 0.74 KMT2A (0.48) RAB9ASMN1; SMN2NPSR1
SCHEMBL8171306 0.74 RAB9A (0.38) RAB9AALDH1A1P4HTMKDM4EPIM2
SCHEMBL8179153 0.73 LMNA (0.37) RAB9AALDH1A1KDM4EGCK
SCHEMBL8179446 0.73 NPC1 (0.38) RAB9AALDH1A1SMN1; SMN2

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