SCHEMBL9656277

SCHEMBL9656277

COC(=O)CCCc1ccc(NS(=O)(=O)c2ccccc2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
HDAC1 Q13547 3/20 0.48
HDAC8 Q9BY41 2/20 0.48
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
HDAC4 P56524 1/20 0.44
MAPT P10636 1/20 0.44
NR1I2 O75469 1/20 0.43
AURKA O14965 1/20 0.43
AURKB Q96GD4 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
EGFR P00533 1/20 0.42
FGFR1 P11362 1/20 0.42

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
SCHEMBL9654381 0.88 PKM (0.46) KMT2AMEN1HDAC1HDAC8PKM
SCHEMBL9654495 0.88 HDAC1 (0.52) KMT2AMEN1HDAC1HDAC8PKM
SCHEMBL9657802 0.84 HDAC1 (0.53) KMT2AMEN1HDAC1HDAC8PKM
SCHEMBL9656939 0.82 HDAC1 (0.52) HDAC1HDAC8PKMTSHRMAPK1
SCHEMBL9655939 0.82 KDM4E (0.47) KMT2AMEN1HDAC1HDAC8HPGD
SCHEMBL9656883 0.80 ALDH1A1 (0.60) KMT2AMEN1HPGDMAPTALDH1A1
SCHEMBL9656899 0.78 TBXAS1 (0.51) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL9654550 0.78 IDO1 (0.49) KMT2AMEN1HDAC1HDAC8NPSR1
SCHEMBL9518150 0.77 MEN1 (0.47) KMT2AMEN1HDAC1HDAC8PKM
SCHEMBL9656208 0.76 PGR (0.52) HDAC1HDAC8PKMTDP1HDAC4

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 3 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 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