SCHEMBL9877922

SCHEMBL9877922

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

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.58
TSHR P16473 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
PKM P14618 3/20 0.53
ALDH1A1 P00352 9/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
POLB P06746 2/20 0.47
MEN1 O00255 7/20 0.46
THRB P10828 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 7/20 0.44
LMNA P02545 3/20 0.44
HTT P42858 2/20 0.44
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.40

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
SCHEMBL29597632 1.00 KMT2A (0.58) KMT2ATSHRTDP1PKMALDH1A1
SCHEMBL9877899 0.92 ALDH1A1 (0.62) KMT2ATSHRTDP1PKMALDH1A1
SCHEMBL9878203 0.91 ALDH1A1 (0.50) KMT2ATSHRTDP1PKMALDH1A1
SCHEMBL10351576 0.89 KAT2B (0.54) KMT2ATSHRTDP1PKMALDH1A1
SCHEMBL9877665 0.88 KMT2A (0.58) KMT2ATSHRTDP1PKMALDH1A1
SCHEMBL9515101 0.87 SMN1; SMN2 (0.53) KMT2ATSHRTDP1PKMALDH1A1
SCHEMBL9878288 0.87 MAPT (0.61) KMT2ATSHRPKMALDH1A1SMN1; SMN2
SCHEMBL10851653 0.86 KMT2A (0.60) KMT2ATSHRTDP1PKMALDH1A1
SCHEMBL10423145 0.85 SLC25A1 (0.47) KMT2ATSHRTDP1PKMALDH1A1
SCHEMBL10536600 0.85 KMT2A (0.59) KMT2ATSHRTDP1PKMALDH1A1

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 7 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
EP-0245603-B1 AROMATIC AMINOSULFONE COMPOUNDS AND PROCESS FOR THEIR PREPARATION BAYER AG (DE) 1990-11-07 EP disclosed
US-4851527-A Water-soluble triphendioxazine compounds HOECHST AKTIENGESELLSCHAFT (DE) 1989-07-25 US disclosed
US-4785098-A BLUE DYES FOR CELLULOSE HOECHST AKTIENGESELLSCHAFT (DE) 1988-11-15 US disclosed
EP-0245603-A2 Aromatic aminosulfone compounds and process for their preparation BAYER AG (DE) 1987-11-19 EP disclosed
US-4577015-A Triphendioxazine vinyl sulphone dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1986-03-18 US disclosed
EP-0153599-A2 Triphenedioxazine vinylsulfonyl dyestuffs BAYER AG (DE) 1985-09-04 EP disclosed