SCHEMBL28454906

SCHEMBL28454906

N#Cc1ccc(C#N)c(N=C(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.38
PLG P00747 1/20 0.38
PLAU P00749 1/20 0.38
KLKB1 P03952 1/20 0.38
PRSS1 P07477 1/20 0.38
GSK3B P49841 2/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ENPP2 Q13822 1/20 0.35
GAA P10253 1/20 0.35
KAT6A Q92794 2/20 0.34
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34

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
SCHEMBL4390169 0.83 ESR1 (0.40) ALDH1A1MAPTTSHRKMT2AL3MBTL1
SCHEMBL7428081 0.79 ESR2 (0.45) F2PLGPLAUKLKB1PRSS1
SCHEMBL15188909 0.79 KMT2A (0.38) F2PLGPLAUKLKB1PRSS1
SCHEMBL4062712 0.79 CES2 (0.41) GSK3BALDH1A1TSHRKMT2AL3MBTL1
SCHEMBL12968160 0.77 L3MBTL1 (0.36) F2PLGPLAUKLKB1PRSS1
SCHEMBL27572839 0.77 TDP1 (0.36) GSK3BALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL7420669 0.76 GSK3B (0.40) F2PLGPLAUKLKB1PRSS1
SCHEMBL27397367 0.74 GSK3B (0.41) F2PLGPLAUKLKB1PRSS1
SCHEMBL25546046 0.73 ESR1 (0.44) F2PLGPLAUKLKB1PRSS1
SCHEMBL12958709 0.70 GSK3B (0.35) F2PLGPLAUKLKB1PRSS1

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-111635523-A Two-dimensional covalent organic framework material with trimeric quinazoline as junction, preparation method and application thereof 河北科技大学 2020-09-08 CN claimed
CN-111635523-A Two-dimensional covalent organic framework material with trimeric quinazoline as junction, preparation method and application thereof 河北科技大学 2020-09-08 CN disclosed