SCHEMBL11539898

SCHEMBL11539898

O=C(Nc1ccccc1)C1=C(O)c2ccsc2S(=O)(=O)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.46
MEN1 O00255 4/20 0.46
MAPT P10636 6/20 0.44
ALDH1A1 P00352 4/20 0.44
LMNA P02545 3/20 0.44
GAA P10253 1/20 0.44
DHODH Q02127 2/20 0.42
POLB P06746 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HTT P42858 2/20 0.40
PKM P14618 1/20 0.40
XBP1 P17861 1/20 0.40
FABP4 P15090 1/20 0.39
FABP5 Q01469 1/20 0.39
HPGD P15428 3/20 0.39

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
SCHEMBL11674874 0.80 PTGES (0.48) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL22289157 0.70 NPC1 (0.46) KMT2AMEN1MAPTLMNADHODH
SCHEMBL22302269 0.66 KMT2A (0.56) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL11596321 0.65 RXFP1 (0.72) KMT2AMAPTALDH1A1GAADHODH
SCHEMBL22302245 0.62 FPR2 (0.44) KMT2AMEN1ALDH1A1LMNAGAA
SCHEMBL10388197 0.61 MEN1 (0.51) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL9562844 0.61 DHODH (0.55) KMT2AMEN1ALDH1A1LMNAGAA
SCHEMBL1929165 0.60 NPC1 (0.85) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL20963276 0.60 MEN1 (0.59) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL1703428 0.60 DHODH (0.51) KMT2AMEN1MAPTLMNAGAA

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
US-4082757-A Amides of 4-hydroxy-6H-thieno[2,3-b]thiopyran-5-carboxylic acid-7,7-dioxide WARNER-LAMBERT COMPANY (US) 1978-04-04 US claimed
US-4154734-A Amides of 4-hydroxy-6H-thieno[2,3-b]thiopyran-5-carboxylic acid-7,7-dioxide WARNER-LAMBERT COMPANY (US) 1979-05-15 US disclosed
US-4134897-A Amides of 4-hydroxy-6H-thieno[2,3-b]thiopyran-5-carboxylic acid-7,7-dioxide and process for the preparation thereof WARNER-LAMBERT COMPANY (US) 1979-01-16 US disclosed
US-4127585-A Isoxazol amides of 4-hydroxy-6H-thieno[2,3-b]thiopyran-5-carboxylic acid-7,7-dioxide WARNER-LAMBERT COMPANY (US) 1978-11-28 US disclosed
US-4082757-A Amides of 4-hydroxy-6H-thieno[2,3-b]thiopyran-5-carboxylic acid-7,7-dioxide WARNER-LAMBERT COMPANY (US) 1978-04-04 US disclosed