SCHEMBL8720708

SCHEMBL8720708

Cc1ccccc1S(=O)(=O)NC1CCc2sc(C(=O)CCC(=O)O)cc2C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 3/20 0.41
LMNA P02545 3/20 0.39
ALDH1A1 P00352 4/20 0.38
NR1H2 P55055 1/20 0.38
RAB9A P51151 2/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.37
TBXAS1 P24557 1/20 0.36
NPC1 O15118 2/20 0.36
HTT P42858 2/20 0.36
SFRP1 Q8N474 1/20 0.35
HPGD P15428 2/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL10405667 0.76 NR1H2 (0.49) TBXA2RNR1H2KMT2ATBXAS1MEN1
SCHEMBL8718069 0.74 ALDH1A1 (0.44) LMNAALDH1A1RAB9AKMT2ANPC1
SCHEMBL8715129 0.74 CA1 (0.41) LMNAALDH1A1NR1H2KMT2AMAPT
SCHEMBL8720077 0.71 KMT2A (0.39) LMNAALDH1A1NR1H2RAB9AKMT2A
SCHEMBL9383997 0.70 NR1H2 (0.35) TBXA2RLMNAALDH1A1NR1H2KMT2A
SCHEMBL10405734 0.69 NR1H2 (0.48) TBXA2RNR1H2TBXAS1SMN1; SMN2
SCHEMBL10405640 0.68 TBXA2R (0.51) TBXA2RNR1H2KMT2AMEN1
SCHEMBL10405894 0.68 CA1 (0.54) LMNAALDH1A1NR1H2KMT2AMAPT
SCHEMBL10406384 0.67 NR1H2 (0.49) NR1H2KMT2AMEN1TP53
SCHEMBL11556100 0.66 ALDH1A1 (0.42) LMNAALDH1A1RAB9AKMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5739132-A ENDOTHOXIN SHOCK; NEPHRITIS TANABE SEIYAKU CO., LTD. (JP) 1998-04-14 US disclosed
EP-0579059-A1 Pyridazinone derivatives and processes for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1994-01-19 EP disclosed