SCHEMBL28045077

SCHEMBL28045077

CC=C(C=N)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
F12 P00748 1/20 0.39
F7 P08709 1/20 0.39
F3 P13726 1/20 0.39
PKM P14618 1/20 0.39
BLM P54132 2/20 0.37
CES2 O00748 4/20 0.36
CES1 P23141 4/20 0.36
ALDH1A1 P00352 3/20 0.36
TSHR P16473 3/20 0.36
DAO P14920 1/20 0.36
NAPRT Q6XQN6 1/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
RECQL P46063 2/20 0.36
MAPK1 P28482 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
C1S P09871 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
SCHEMBL18962596 1.00 F2 (0.39) F2F10F12F7F3
SCHEMBL15850351 0.78 F2 (0.42) F2F10F12F7F3
SCHEMBL19849034 0.78 ALDH1A1 (0.43) PKMCES2CES1ALDH1A1KMT2A
SCHEMBL22812391 0.78 AKT1 (0.34) F2F10F12F7F3
SCHEMBL24914463 0.78 ATM (0.38) F2F10F12F7F3
SCHEMBL14525170 0.78 TDP1 (0.35) F2F10F12F7F3
SCHEMBL1072242 0.77 CES2 (0.38) F2F10F12F7F3
SCHEMBL1072240 0.77 CES2 (0.38) F2F10F12F7F3
SCHEMBL23260541 0.76 PARP1 (0.47) ALDH1A1KMT2ATDP1MAPTMEN1
SCHEMBL1073772 0.75 AKT1 (0.50) CES2CES1ALDH1A1TSHRDAO

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105164183-B Metal nanoparticle protects polymer and colloidal metal solution and their manufacture method DIC株式会社 2017-06-30 CN disclosed
CN-105164183-A Metal nanoparticle-protecting polymer and metal colloidal solution, and method for producing same DAINIPPON INK & CHEMICALS 2015-12-16 CN disclosed