SCHEMBL7845141

SCHEMBL7845141

CC(C)(C)OC(=O)n1cc(S(=O)(=O)Cl)c2ccc(-c3ccc(F)cc3)cc21

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 4/20 0.39
HDAC1 Q13547 3/20 0.39
ACLY P53396 1/20 0.38
MMP13 P45452 1/20 0.38
HTR6 P50406 1/20 0.36
SERPINE1 P05121 1/20 0.36
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GRIN2B Q13224 3/20 0.34
RORC P51449 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
SCHEMBL7498108 0.84 RXFP1 (0.40) HDAC2HDAC1MMP13NR1H2NR1H3
SCHEMBL124286 0.82 HDAC2 (0.41) HDAC2HDAC1ACLYMMP13HTR6
SCHEMBL8564247 0.82 ASAH1 (0.39) SERPINE1GRIN2B
SCHEMBL31147905 0.80 KMT2A (0.49) HDAC2HDAC1SERPINE1
SCHEMBL7498775 0.77 PTGS2 (0.38) HDAC2HDAC1ACLYMMP13HTR6
SCHEMBL7498784 0.75 HDAC2 (0.36) HDAC2HDAC1HTR6L3MBTL1GRIN2B
SCHEMBL147532 0.73 ACLY (0.46) HDAC2HDAC1ACLYMMP13NR1H2
SCHEMBL121793 0.73 PTGS1 (0.41) HDAC2HDAC1HTR6L3MBTL1
SCHEMBL16990381 0.72 TDO2 (0.39) HTR6NR1H2
SCHEMBL22749553 0.72 HTR6 (0.43) HTR6L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0821685-B1 INDOLE-3-CARBONYL AND INDOLE-3-SULFONYL DERIVATIVES AS PLATELET ACTIVATING FACTOR ANTAGONISTS ABBOTT LAB (US) 2001-10-04 EP disclosed
US-5654305-A TREATING PLATELET ACTIVATING FACTOR MEDIATED DISORDERS ABBOTT LABORATORIES (US) 1997-08-05 US disclosed
WO-1996033196-A1 INDOLE-3-CARBONYL AND INDOLE-3-SULFONYL DERIVATIVES AS PLATELET ACTIVATING FACTOR ANTAGONISTS ABBOTT LABORATORIES (US) 1996-10-24 WO disclosed
US-5567711-A Indole-3-carbonyl and indole-3-sulfonyl derivatives as platelet activating factor antagonists ABBOTT LABORATORIES (US) 1996-10-22 US disclosed