SCHEMBL9877924

SCHEMBL9877924

O=[N+]([O-])c1cc(S(=O)(=O)CCO)ccc1NCCO

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.64
ALDH1A1 P00352 5/20 0.60
TSHR P16473 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
MAPT P10636 7/20 0.52
POLB P06746 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
KMT2A Q03164 2/20 0.51
LMNA P02545 5/20 0.48
RAB9A P51151 1/20 0.47
WNK1 Q9H4A3 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.45

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
SCHEMBL9878208 0.91 PKM (0.54) PKMALDH1A1TSHRTDP1MAPT
SCHEMBL197978 0.86 PKM (0.67) PKMALDH1A1TSHRTDP1MAPT
SCHEMBL29516580 0.86 PKM (0.67) PKMALDH1A1TSHRTDP1MAPT
SCHEMBL1958428 0.84 MAPT (0.71) PKMALDH1A1TSHRTDP1MAPT
SCHEMBL10485197 0.84 PKM (0.65) PKMALDH1A1TSHRTDP1MAPT
SCHEMBL10401552 0.80 MAPT (0.47) PKMALDH1A1TDP1MAPTPOLB
SCHEMBL9817732 0.78 MAPT (0.59) ALDH1A1TDP1MAPTPOLBSMN1; SMN2
SCHEMBL9574410 0.78 CA2 (0.49) ALDH1A1MAPTPOLBKMT2AMAPK1
SCHEMBL563763 0.78 PKM (0.67) PKMALDH1A1TSHRTDP1MAPT
SCHEMBL10669752 0.78 CA2 (0.63) ALDH1A1TSHRMAPTPOLBSMN1; SMN2

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
US-4992589-A Substituted phenyl hydroxyethyl sulfones, and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1991-02-12 US disclosed