SCHEMBL28290525

SCHEMBL28290525

CC(C(N)=O)c1ccncc1C(C)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT3 Q9NTG7 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
F7 P08709 1/20 0.37
F3 P13726 1/20 0.37
SARM1 Q6SZW1 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
SIRT6 Q8N6T7 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
SIRT5 Q9NXA8 1/20 0.37
SIRT4 Q9Y6E7 1/20 0.37
FLT4 P35916 2/20 0.37
EPHX1 P07099 1/20 0.37
CYP11B2 P19099 1/20 0.36
CXCL8 P10145 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM6B O15054 2/20 0.36
KDM4C Q9H3R0 2/20 0.36
MEN1 O00255 1/20 0.36
KDM4A O75164 1/20 0.36

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
SCHEMBL19105565 0.93 SIRT3 (0.41) SIRT3TDP1F7F3SARM1
SCHEMBL9321170 0.74 CXCL8 (0.54) TDP1EPHX1CXCL8MAPTKMT2A
SCHEMBL7767500 0.74 EPHX1 (0.53) EPHX1ALDH1A1L3MBTL1ROCK1AURKB
SCHEMBL2371076 0.74 EPHX1 (0.53) EPHX1ALDH1A1L3MBTL1ROCK1AURKB
SCHEMBL17233832 0.72 CYP17A1 (0.50) SIRT3F7F3SARM1SIRT2
SCHEMBL17233924 0.72 CYP17A1 (0.50) SIRT3F7F3SARM1SIRT2
SCHEMBL30159419 0.72 CYP17A1 (0.50) SIRT3F7F3SARM1SIRT2
SCHEMBL83185 0.72 CYP17A1 (0.50) SIRT3F7F3SARM1SIRT2
SCHEMBL6215853 0.72 SIRT3 (0.59) SIRT3TDP1F7F3SARM1
SCHEMBL16094860 0.72 TDP1 (0.55) SIRT3TDP1F7F3SARM1

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-109642165-A Integrated coalescing system for separating liquid hydrocarbons from dispersed ionic liquid 雪佛龙美国公司 2019-04-16 CN disclosed