SCHEMBL8559920

SCHEMBL8559920

N=C(N)NCCCS(=O)(=O)C=Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
KMT2A Q03164 2/20 0.43
EGFR P00533 1/20 0.38
FKBP1A P62942 3/20 0.38
ALOX15 P16050 1/20 0.37
HTT P42858 2/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
LMNA P02545 2/20 0.36
PTGES2 Q9H7Z7 1/20 0.36
PPARG P37231 1/20 0.36

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
SCHEMBL8558274 0.96 GAA (0.43) GAAKMT2AEGFRFKBP1AALOX15
Sulfuric Acid SCHEMBL6420246 0.77 KMT2A (0.68) KMT2AEGFRHTTHDAC3HDAC4
Hydrochloric Acid SCHEMBL6419949 0.73 KMT2A (0.72) KMT2AEGFRHTTHDAC3HDAC4
SCHEMBL8555467 0.72 KMT2A (0.44) GAAKMT2AALOX15HTTLMNA
SCHEMBL5872086 0.72 LMNA (0.52) GAAEGFRFKBP1AHTTHDAC3
SCHEMBL5872367 0.71 LMNA (0.46) GAAEGFRFKBP1AHTTHDAC3
SCHEMBL7902156 0.71 LMNA (0.46) GAAEGFRFKBP1AHTTHDAC3
SCHEMBL8559623 0.71 HDAC1 (0.50) KMT2AALOX15HDAC3HDAC4HDAC1
SCHEMBL5873328 0.69 GAA (0.56) GAAKMT2AHTTHDAC3HDAC4
SCHEMBL7825192 0.69 GAA (0.56) GAAKMT2AHTTHDAC3HDAC4

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