SCHEMBL23222214

SCHEMBL23222214

Nc1ccccc1C(=O)NCCS(=O)(=O)O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.56
▸ HPGD P15428 7/20 0.56
▸ KDM4E B2RXH2 7/20 0.56
▸ HSD17B10 Q99714 2/20 0.51
▸ TP53 P04637 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ LMNA P02545 1/20 0.49
▸ RCE1 Q9Y256 1/20 0.47
▸ HDAC3 O15379 4/20 0.45
▸ HDAC1 Q13547 4/20 0.45
▸ USP2 O75604 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ NSD2 O96028 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
SCHEMBL10408793 0.86 ALDH1A1 (0.55) ALDH1A1HPGDKDM4EHSD17B10TP53
SCHEMBL31267447 0.84 ALDH1A1 (0.68) ALDH1A1HPGDKDM4EHSD17B10TP53
SCHEMBL27548376 0.83 ALDH1A1 (0.52) ALDH1A1HPGDKDM4EHSD17B10TP53
SCHEMBL3688021 0.83 ALDH1A1 (0.62) ALDH1A1HPGDKDM4EHSD17B10TP53
SCHEMBL31267470 0.83 ALDH1A1 (0.62) ALDH1A1HPGDKDM4EHSD17B10TP53
SCHEMBL12041029 0.82 NAAA (0.60) ALDH1A1HPGDKDM4EHSD17B10TP53
SCHEMBL27548378 0.82 ALDH1A1 (0.50) ALDH1A1HPGDKDM4EHSD17B10TP53
SCHEMBL27753433 0.81 ALDH1A1 (0.60) ALDH1A1HPGDKDM4EHSD17B10TP53
SCHEMBL866062 0.81 ALDH1A1 (0.64) ALDH1A1HPGDKDM4EHSD17B10TP53
SCHEMBL890994 0.80 ALDH1A1 (0.62) ALDH1A1HPGDKDM4EHSD17B10TP53

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-3350350-B1 COMPOUNDS AND SYSTEMS FOR IMPROVING SIGNAL DETECTION PACIFIC BIOSCIENCES CALIFORNIA INC (US) 2021-04-14 — — EP disclosed
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