SCHEMBL9657802

SCHEMBL9657802

O=C(O)CCCCc1ccc(NS(=O)(=O)c2ccccc2)cn1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.53
FABP1 P07148 1/20 0.49
ALDH1A1 P00352 3/20 0.49
TBXA2R P21731 1/20 0.49
HDAC8 Q9BY41 3/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HDAC4 P56524 1/20 0.47
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PKM P14618 1/20 0.44
TBXAS1 P24557 2/20 0.44
NR1I2 O75469 1/20 0.43
IL1RN P18510 1/20 0.43
KEAP1 Q14145 1/20 0.43
ERAP1 Q9NZ08 1/20 0.43
HTR6 P50406 1/20 0.43

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 0.96 HDAC1 (0.52) HDAC1FABP1ALDH1A1TBXA2RHDAC8
SCHEMBL9656313 0.89 TBXAS1 (0.53) TBXA2RMEN1KMT2ATBXAS1
SCHEMBL9656899 0.85 TBXAS1 (0.51) ALDH1A1TBXA2RMEN1KMT2ATBXAS1
SCHEMBL9654550 0.85 IDO1 (0.49) HDAC1FABP1ALDH1A1HDAC8MEN1
SCHEMBL9656883 0.85 ALDH1A1 (0.60) ALDH1A1MEN1KMT2APOLB
SCHEMBL9656277 0.84 KMT2A (0.48) HDAC1ALDH1A1HDAC8MEN1KMT2A
SCHEMBL9656208 0.84 PGR (0.52) HDAC1ALDH1A1HDAC8HDAC4TDP1
SCHEMBL10471236 0.84 FABP1 (0.47) HDAC1FABP1ALDH1A1TBXA2RHDAC8
SCHEMBL9656939 0.82 HDAC1 (0.52) HDAC1ALDH1A1HDAC8HDAC4POLB
SCHEMBL9656295 0.81 TSHR (0.54) HDAC1HDAC8MEN1KMT2A

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