SCHEMBL2815024

SCHEMBL2815024

C=C(C)C(=O)N(c1ccccc1)C(C)C#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 1/20 0.41
NPSR1 Q6W5P4 2/20 0.38
XBP1 P17861 1/20 0.38
ATM Q13315 1/20 0.38
MLYCD O95822 1/20 0.35
TRPM8 Q7Z2W7 3/20 0.35
AKR1C3 P42330 1/20 0.34
AKR1C1 Q04828 1/20 0.34
CTSL P07711 2/20 0.33
HPGD P15428 2/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
ESR1 P03372 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ELANE P08246 1/20 0.33

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
SCHEMBL7795696 0.83 LMNA (0.52) LMNAMAPTALDH1A1SMN1; SMN2TP53
SCHEMBL11770803 0.82 LMNA (0.46) LMNAMAPTALDH1A1SMN1; SMN2TP53
SCHEMBL29238028 0.82 ALDH1A1 (0.54) LMNAMAPTALDH1A1SMN1; SMN2TP53
SCHEMBL10532063 0.80 LMNA (0.45) LMNAMAPTALDH1A1SMN1; SMN2TP53
SCHEMBL10910683 0.79 LMNA (0.47) LMNAMAPTALDH1A1SMN1; SMN2TP53
SCHEMBL10907926 0.79 ALOX5 (0.46) LMNAMAPTALDH1A1SMN1; SMN2TP53
SCHEMBL491143 0.78 ALOX5 (0.45) LMNAMAPTALDH1A1SMN1; SMN2TP53
SCHEMBL2815568 0.77 SIGMAR1 (0.38) MAPTALDH1A1NPSR1HPGD
SCHEMBL5564538 0.74 LMNA (0.50) LMNAMAPTALDH1A1SMN1; SMN2TP53
SCHEMBL3563050 0.74 ALDH1A1 (0.40) LMNAMAPTALDH1A1SMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100247880-A1 NOVEL COPOLYMER, NOVEL COPOLYMER-CONTAINING COMPOSITION, LAMINATE BODY, METHOD OF PRODUCING METAL FILM-COATED MATERIAL, METAL FILM-COATED MATERIAL, METHOD OF PRODUCING METALLIC PATTERN-BEARING MATERIAL AND METALLIC PATTERN-BEARING MATERIAL FUJIFILM CORPORATION (JP) 2010-09-30 US disclosed