SCHEMBL19720259

SCHEMBL19720259

O=NC(=O)CCC(=O)NNc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.62
GAA P10253 6/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
PTGS2 P35354 1/20 0.46
F2 P00734 1/20 0.45
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43

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
SCHEMBL491040 0.82 ALOX5 (0.70) ALOX5GAASMN1; SMN2LMNAL3MBTL1
SCHEMBL30513891 0.80 ALOX5 (0.72) ALOX5GAASMN1; SMN2LMNAL3MBTL1
SCHEMBL10117829 0.79 ALOX5 (0.71) ALOX5GAASMN1; SMN2LMNAL3MBTL1
SCHEMBL13042440 0.77 ALOX5 (0.68) ALOX5GAASMN1; SMN2LMNACYP3A4
SCHEMBL11418048 0.77 ALOX5 (0.73) ALOX5GAASMN1; SMN2LMNAL3MBTL1
SCHEMBL1531522 0.77 ALOX5 (1.00) ALOX5GAASMN1; SMN2LMNAL3MBTL1
Hydrochloric Acid SCHEMBL8957363 0.75 ALOX5 (0.96) ALOX5GAASMN1; SMN2LMNAL3MBTL1
SCHEMBL10795256 0.75 ALOX5 (0.66) ALOX5GAASMN1; SMN2LMNAL3MBTL1
SCHEMBL6633779 0.74 ALOX5 (0.80) ALOX5GAASMN1; SMN2CYP3A4TSHR
SCHEMBL17183577 0.74 ALOX5 (0.64) ALOX5GAASMN1; SMN2LMNAL3MBTL1

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
EP-2285773-B1 CURE ACCELERATORS FOR ANAEROBIC CURABLE COMPOSITIONS Henkel IP & Holding GmbH (DE) 2017-12-20 EP disclosed