SCHEMBL8550469

SCHEMBL8550469

Cc1ccc(CN=Cc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.58
CA1 P00915 6/20 0.57
SMN1; SMN2 Q16637 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.49
GAA P10253 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
MAPK1 P28482 1/20 0.49
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
C3AR1 Q16581 1/20 0.43
ACHE P22303 1/20 0.43
BACE1 P56817 1/20 0.43
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
BCHE P06276 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL8550466 0.92 SMN1; SMN2 (0.53) CA2CA1SMN1; SMN2L3MBTL1GAA
SCHEMBL11977411 0.92 SMN1; SMN2 (0.53) CA2CA1SMN1; SMN2L3MBTL1GAA
SCHEMBL20200244 0.90 SMN1; SMN2 (0.54) CA2CA1SMN1; SMN2L3MBTL1MAPK1
SCHEMBL11586020 0.90 CA2 (0.68) CA2CA1SMN1; SMN2L3MBTL1GAA
SCHEMBL15551980 0.90 CA2 (0.68) CA2CA1SMN1; SMN2L3MBTL1GAA
SCHEMBL715116 0.86 SMN1; SMN2 (0.67) CA2CA1SMN1; SMN2L3MBTL1GAA
SCHEMBL77617 0.86 SMN1; SMN2 (0.67) CA2CA1SMN1; SMN2L3MBTL1GAA
SCHEMBL77618 0.86 SMN1; SMN2 (0.67) CA2CA1SMN1; SMN2L3MBTL1GAA
SCHEMBL3050606 0.84 SMN1; SMN2 (0.65) CA2CA1SMN1; SMN2L3MBTL1GAA
SCHEMBL8543787 0.82 CA2 (0.60) CA2CA1SMN1; SMN2L3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0671385-B1 Method for handling (2-alkyl) acryloyl isocyanate, method for producing (2-alkyl)acryloyl isocyanate, heterocyclic compound, and method for producing heterocyclic compound NIPPON PAINT CO LTD (JP) 1998-10-14 EP disclosed
US-5663423-A Method for handling (2-alkyl) (acryloyl) isocyanate, method for stabilizing (2-alkyl) (acryloyl) isocyanate, method for producing (2-alkyl) (acryloyl) isocyanate, heterocyclic compound, and method for producing heterocyclic compound NIPPON PAINT CO., LTD (JP) 1997-09-02 US disclosed
US-5532360-A REACTING WITH AZOMETHINE COMPOUND TO FORM HETEROCYCLIC COMPOUND NIPPON PAINT CO., LTD. (JP) 1996-07-02 US disclosed
EP-0671385-A1 Method for handling (2-alkyl) acryloyl isocyanate, method for producing (2-alkyl)acryloyl isocyanate, heterocyclic compound, and method for producing heterocyclic compound Nippon Paint Co., Ltd. (JP) 1995-09-13 EP disclosed