SCHEMBL8543787

SCHEMBL8543787

C(=NCc1ccc(-c2ccccc2)cc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.60
CA1 P00915 5/20 0.58
SMN1; SMN2 Q16637 2/20 0.54
CA12 O43570 2/20 0.48
CA9 Q16790 2/20 0.48
TAAR1 Q96RJ0 1/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
NPC1 O15118 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL8543783 0.92 SMN1; SMN2 (0.54) CA2CA1SMN1; SMN2CA12CA9
SCHEMBL11586020 0.92 CA2 (0.68) CA2CA1SMN1; SMN2CA12CA9
SCHEMBL15551980 0.92 CA2 (0.68) CA2CA1SMN1; SMN2CA12CA9
SCHEMBL77618 0.87 SMN1; SMN2 (0.67) CA2CA1SMN1; SMN2CA12CA9
SCHEMBL77617 0.87 SMN1; SMN2 (0.67) CA2CA1SMN1; SMN2CA12CA9
SCHEMBL715116 0.87 SMN1; SMN2 (0.67) CA2CA1SMN1; SMN2CA12CA9
SCHEMBL3050606 0.85 SMN1; SMN2 (0.65) CA2CA1SMN1; SMN2CA12CA9
SCHEMBL6124203 0.84 G6PC1 (0.51) CA2CA1SMN1; SMN2CA12CA9
SCHEMBL17266143 0.82 CA2 (0.63) CA2CA1SMN1; SMN2CA12CA9
SCHEMBL19233525 0.82 CA2 (0.58) CA2CA1SMN1; SMN2CA12CA9

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