SCHEMBL28053635

SCHEMBL28053635

Cc1ccc(NC(=O)/C=C\c2cn(C3CCCCC3)nn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.46
MMP2 P08253 4/20 0.46
MMP9 P14780 4/20 0.46
EGFR P00533 1/20 0.44
HDAC11 Q96DB2 3/20 0.43
NMT1 P30419 1/20 0.42
LMNA P02545 2/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
EPHX1 P07099 1/20 0.41
DDAH1 O94760 1/20 0.41
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 2/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL28053553 0.89 MAPT (0.47) MMP1MMP2MMP9EGFRHDAC11
SCHEMBL28640947 0.77 PSMB8 (0.41) HDAC11MAPTTP53MEN1KMT2A
SCHEMBL28630349 0.77 PSMB8 (0.41) HDAC11MAPTTP53MEN1KMT2A
SCHEMBL28261787 0.77 PSMB8 (0.41) HDAC11MAPTTP53MEN1KMT2A
SCHEMBL28261746 0.76 HDAC11 (0.41) HDAC11MAPTTP53MEN1KMT2A
SCHEMBL28624764 0.76 HDAC11 (0.41) HDAC11MAPTTP53MEN1KMT2A
SCHEMBL28624872 0.76 HDAC11 (0.41) HDAC11MAPTTP53MEN1KMT2A
SCHEMBL28053627 0.76 MAPT (0.43) EGFRHDAC11MAPTHTTHDAC1
SCHEMBL28053637 0.76 PSMB8 (0.46) HDAC11EPHX1HDAC1HDAC2HDAC3
SCHEMBL28053558 0.75 HDAC11 (0.56) MMP1MMP2MMP9HDAC11LMNA

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
CN-105272928-A Alkenyl amide triazole compound and synthetic method thereof UNIV SHAANXI NORMAL 2016-01-27 CN disclosed