SCHEMBL9656208

SCHEMBL9656208

O=C(O)CCCc1ccc(NS(=O)(=O)c2cccc(Cl)c2)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 10/20 0.52
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
PKM P14618 1/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
EGLN1 Q9GZT9 1/20 0.46
FBP1 P09467 3/20 0.44

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
SCHEMBL9654495 0.87 HDAC1 (0.52) HDAC4HDAC1HDAC8PKMALDH1A1
SCHEMBL9656899 0.86 TBXAS1 (0.51) ALDH1A1MAPT
SCHEMBL9656327 0.86 PTGDR2 (0.48) PGRHDAC3HDAC4HDAC1HDAC7
SCHEMBL9656295 0.84 TSHR (0.54) PGRHDAC1HDAC8
SCHEMBL9657802 0.84 HDAC1 (0.53) HDAC4HDAC1HDAC8PKMALDH1A1
SCHEMBL9656313 0.83 TBXAS1 (0.53) MAPT
SCHEMBL9656043 0.82 TBXAS1 (0.51) ALDH1A1
SCHEMBL9656883 0.80 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9654550 0.80 IDO1 (0.49) HDAC1HDAC8ALDH1A1SMN1; SMN2TDP1
SCHEMBL9657786 0.79 CES1 (0.51) ALDH1A1MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0287270-B1 BIOLOGICALLY ACTIVE COMPOUNDS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-12-30 EP claimed
EP-0287270-A1 Biologically active compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1988-10-19 EP claimed
EP-0287270-B1 BIOLOGICALLY ACTIVE COMPOUNDS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-12-30 EP disclosed
US-4902698-A Benzenesulphonamidopyridyl compounds which are useful as thromboxane A.sub.2 SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-02-20 US disclosed
EP-0287270-A1 Biologically active compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1988-10-19 EP disclosed