SCHEMBL8559623

SCHEMBL8559623

N=C(N)NCCCCS(=O)(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
ALOX15 P16050 1/20 0.47
NAMPT P43490 1/20 0.46
HSD11B1 P28845 4/20 0.45
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
CA2 P00918 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 2/20 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
SCHEMBL10310340 0.89 L3MBTL1 (0.61) HDAC1HDAC8HDAC2HDAC3HDAC4
SCHEMBL8558350 0.83 ATM (0.42) HDAC1HDAC8HDAC2HDAC3HDAC4
SCHEMBL8557517 0.80 PLCG1 (0.46) HDAC1HDAC8HDAC2HDAC3HDAC4
SCHEMBL8557842 0.79 KMT2A (0.43) ALOX15CA2KDM4EALDH1A1LMNA
SCHEMBL8559958 0.79 ATM (0.43) HDAC1HDAC8HDAC2HDAC3HDAC4
SCHEMBL576918 0.77 KEAP1 (0.63) HDAC1HDAC8HDAC2HDAC3HDAC4
SCHEMBL14952114 0.76 EPHX2 (0.58) HDAC1HDAC3SMN1; SMN2KDM4EALDH1A1
SCHEMBL8558274 0.76 GAA (0.43) HDAC1HDAC8HDAC2HDAC3HDAC4
SCHEMBL10626503 0.75 HDAC1 (0.65) HDAC1HDAC8HDAC2HDAC3HDAC4
SCHEMBL21171920 0.75 TRPV1 (0.56) L3MBTL1ALDH1A1LMNAKMT2A

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-0832076-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-04-01 EP disclosed