SCHEMBL8558274

SCHEMBL8558274

N=C(N)NCCCCS(=O)(=O)C=Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
KMT2A Q03164 2/20 0.42
EGFR P00533 1/20 0.40
ALOX15 P16050 1/20 0.39
HDAC3 O15379 3/20 0.39
HDAC4 P56524 3/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC7 Q8WUI4 3/20 0.39
HDAC2 Q92769 3/20 0.39
HDAC10 Q969S8 3/20 0.39
HDAC11 Q96DB2 3/20 0.39
HDAC8 Q9BY41 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39
HDAC9 Q9UKV0 3/20 0.39
HDAC5 Q9UQL6 3/20 0.39
FKBP1A P62942 3/20 0.37
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.35
PTGES2 Q9H7Z7 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL8559920 0.96 GAA (0.44) GAAKMT2AEGFRALOX15HDAC3
Sulfuric Acid SCHEMBL6420246 0.78 KMT2A (0.68) KMT2AEGFRHDAC3HDAC4HDAC1
SCHEMBL8559623 0.76 HDAC1 (0.50) KMT2AALOX15HDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL6419949 0.75 KMT2A (0.72) KMT2AEGFRHDAC3HDAC4HDAC1
SCHEMBL8557842 0.73 KMT2A (0.43) GAAKMT2AALOX15HTTLMNA
SCHEMBL5872367 0.73 LMNA (0.46) GAAEGFRHDAC3FKBP1AHTT
SCHEMBL7902156 0.73 LMNA (0.46) GAAEGFRHDAC3FKBP1AHTT
SCHEMBL5872086 0.71 LMNA (0.52) GAAEGFRHDAC3FKBP1AHTT
Guanidine SCHEMBL3293526 0.71 PPARG (0.46) GAAKMT2AHDAC3HDAC4HDAC1
Guanoxyfen SCHEMBL666615 0.69 L3MBTL1 (0.56) KMT2AALOX15

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