SCHEMBL27609342

SCHEMBL27609342

CS(=O)(=O)CCC(O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.52
LMNA P02545 2/20 0.50
KDM4E B2RXH2 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
AOC3 Q16853 5/20 0.43
BCAT2 O15382 1/20 0.41
ALDH1A1 P00352 3/20 0.40
ASAH1 Q13510 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GMNN O75496 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
PMP22 Q01453 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PPARG P37231 1/20 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
SCHEMBL11644157 0.82 LMNA (0.52) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL2065739 0.81 RIPK1 (0.47) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL2065087 0.81 RIPK1 (0.47) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL11687409 0.80 LMNA (0.54) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL28111816 0.80 LMNA (0.54) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL11041488 0.79 RIPK1 (0.50) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL3996513 0.79 RIPK1 (0.46) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL2065088 0.79 RIPK1 (0.46) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL3996526 0.79 RIPK1 (0.46) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL2065740 0.79 RIPK1 (0.46) RIPK1LMNAKDM4EL3MBTL1AOC3

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
CN-100354264-C 5-substituted isoquinoline derivatives and drugs containing them ASAHI KASEI PHARMA CORP (JP) 2007-12-12 CN disclosed
CN-1668600-A 5-substituted isoquinoline derivatives ASAHI KASEI PHARMA CORP (JP) 2005-09-14 CN disclosed