SCHEMBL9877665

SCHEMBL9877665

O=[N+]([O-])c1ccc(NCCOCCO)c(S(=O)(=O)CCO)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.58
TSHR P16473 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ALDH1A1 P00352 7/20 0.47
MAPT P10636 6/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
POLB P06746 1/20 0.45
PKM P14618 1/20 0.42
CYP19A1 P11511 3/20 0.40
MEN1 O00255 4/20 0.39
KDM4E B2RXH2 3/20 0.39
THRB P10828 2/20 0.39
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL9877922 0.88 KMT2A (0.58) KMT2ATSHRTDP1ALDH1A1MAPT
SCHEMBL29597632 0.88 KMT2A (0.58) KMT2ATSHRTDP1ALDH1A1MAPT
SCHEMBL9877899 0.85 ALDH1A1 (0.62) KMT2ATSHRTDP1ALDH1A1MAPT
SCHEMBL9878203 0.84 ALDH1A1 (0.50) KMT2ATSHRTDP1ALDH1A1MAPT
SCHEMBL10351576 0.82 KAT2B (0.54) KMT2ATSHRTDP1ALDH1A1MAPT
SCHEMBL10630292 0.81 KMT2A (0.41) KMT2ATSHRTDP1ALDH1A1MAPT
SCHEMBL9515101 0.81 SMN1; SMN2 (0.53) KMT2ATSHRTDP1ALDH1A1MAPT
SCHEMBL9878288 0.81 MAPT (0.61) KMT2ATSHRALDH1A1MAPTSMN1; SMN2
SCHEMBL563246 0.80 KMT2A (0.71) KMT2ATSHRTDP1ALDH1A1MAPT
SCHEMBL29868082 0.80 KMT2A (0.71) KMT2ATSHRTDP1ALDH1A1MAPT

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 4 patents. 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
US-4785098-A BLUE DYES FOR CELLULOSE HOECHST AKTIENGESELLSCHAFT (DE) 1988-11-15 US disclosed
EP-0171611-B1 SUBSTITUTED PHENYLOXETHYL SULPHONES AND PROCESS FOR THEIR PREPARATION HOECHST AKTIENGESELLSCHAFT (DE) 1987-09-23 EP disclosed
EP-0171611-A1 Substituted phenyloxethyl sulphones and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1986-02-19 EP disclosed