SCHEMBL9878201

SCHEMBL9878201

CC(O)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCN

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.46
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 2/20 0.44
CYP19A1 P11511 2/20 0.43
KMT2A Q03164 2/20 0.41
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PKM P14618 1/20 0.40
GAA P10253 1/20 0.40
RECQL P46063 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL9877927 0.89 KMT2A (0.54) ALDH1A1SMN1; SMN2POLBCYP19A1KMT2A
SCHEMBL9877903 0.87 ALDH1A1 (0.59) KAT2BALDH1A1SMN1; SMN2POLBCYP19A1
SCHEMBL10597296 0.86 POLB (0.45) KAT2BALDH1A1SMN1; SMN2POLBCYP19A1
SCHEMBL9878286 0.84 MAPT (0.60) ALDH1A1SMN1; SMN2POLBCYP19A1KMT2A
SCHEMBL9879008 0.81 CYP19A1 (0.42) ALDH1A1SMN1; SMN2POLBCYP19A1KMT2A
SCHEMBL9878800 0.81 RAPGEF4 (0.38) ALDH1A1POLBKMT2ATDP1GAA
SCHEMBL9877920 0.81 CYP19A1 (0.44) ALDH1A1SMN1; SMN2POLBCYP19A1TDP1
SCHEMBL9878326 0.80 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2POLBKMT2ATDP1
SCHEMBL9878203 0.79 ALDH1A1 (0.50) KAT2BALDH1A1SMN1; SMN2POLBKMT2A
SCHEMBL10694484 0.78 ALDH1A1 (0.44) KAT2BALDH1A1SMN1; 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
US-4992589-A Substituted phenyl hydroxyethyl sulfones, and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1991-02-12 US disclosed