SCHEMBL9843695

SCHEMBL9843695

Cc1ccc([S+]([O-])CC(=O)CF)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.33
LMNA P02545 2/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
GSK3B P49841 1/20 0.32
POLB P06746 1/20 0.32
ACHE P22303 1/20 0.32
KMT2A Q03164 4/20 0.31
MEN1 O00255 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
TDP1 Q9NUW8 3/20 0.31
PKM P14618 2/20 0.31
HTT P42858 2/20 0.31
ATM Q13315 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
HPGD P15428 2/20 0.31
GAA P10253 2/20 0.31
NLRP1 Q9C000 1/20 0.31

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
SCHEMBL255114 1.00 ALDH1A1 (0.33) ALDH1A1LMNACES2CES1SMN1; SMN2
SCHEMBL9843698 1.00 ALDH1A1 (0.33) ALDH1A1LMNACES2CES1SMN1; SMN2
SCHEMBL254515 0.79 ALDH1A1 (0.37) ALDH1A1LMNACES2CES1SMN1; SMN2
SCHEMBL9456919 0.79 KMT2A (0.41) ALDH1A1LMNACES2CES1SMN1; SMN2
SCHEMBL9457024 0.79 KMT2A (0.41) ALDH1A1LMNACES2CES1SMN1; SMN2
SCHEMBL9456923 0.79 KMT2A (0.41) ALDH1A1LMNACES2CES1SMN1; SMN2
SCHEMBL30929941 0.79 KMT2A (0.41) ALDH1A1LMNACES2CES1SMN1; SMN2
SCHEMBL7753032 0.78 EGLN1 (0.35) ALDH1A1LMNASMN1; SMN2POLBKMT2A
SCHEMBL7757191 0.78 EGLN1 (0.35) ALDH1A1LMNASMN1; SMN2POLBKMT2A
SCHEMBL7753034 0.78 EGLN1 (0.35) ALDH1A1LMNASMN1; SMN2POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0450585-A2 Process for the manufacture of 2-deoxy-D-threo-pentofuranosides, intermediates for their manufacture and their use CHEMPROSA, CHEMISCHE PRODUKTE SAISCHEK GmbH (AT) 1991-10-09 EP disclosed