SCHEMBL8543783

SCHEMBL8543783

C(=NCc1ccccc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
CA2 P00918 5/20 0.51
CA1 P00915 4/20 0.50
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
KMT2A Q03164 2/20 0.47
MAPK1 P28482 2/20 0.47
TAAR1 Q96RJ0 1/20 0.47
MAPT P10636 7/20 0.46
NPC1 O15118 3/20 0.46
KDM4E B2RXH2 2/20 0.46
THRB P10828 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL8543787 0.92 CA2 (0.60) SMN1; SMN2CA2CA1CA12CA9
SCHEMBL77618 0.87 SMN1; SMN2 (0.67) SMN1; SMN2CA2CA1CA12CA9
SCHEMBL77617 0.87 SMN1; SMN2 (0.67) SMN1; SMN2CA2CA1CA12CA9
SCHEMBL715116 0.87 SMN1; SMN2 (0.67) SMN1; SMN2CA2CA1CA12CA9
SCHEMBL3050606 0.85 SMN1; SMN2 (0.65) SMN1; SMN2CA2CA1CA12CA9
SCHEMBL6124203 0.84 G6PC1 (0.51) SMN1; SMN2CA2CA1CA12CA9
SCHEMBL15551980 0.83 CA2 (0.68) SMN1; SMN2CA2CA1CA12CA9
SCHEMBL11586020 0.83 CA2 (0.68) SMN1; SMN2CA2CA1CA12CA9
SCHEMBL11977411 0.82 SMN1; SMN2 (0.53) SMN1; SMN2CA2CA1CA12CA9
SCHEMBL19233523 0.82 G6PC1 (0.57) SMN1; SMN2CA2CA1KMT2AMAPK1

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