SCHEMBL9744729

SCHEMBL9744729

Nc1ccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)CCO)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.61
MAPT P10636 7/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
MAPK1 P28482 2/20 0.57
TDP1 Q9NUW8 4/20 0.50
KDM4E B2RXH2 3/20 0.50
GAA P10253 3/20 0.50
GFER P55789 2/20 0.50
ATM Q13315 1/20 0.50
RAPGEF4 Q8WZA2 1/20 0.48
TBXA2R P21731 5/20 0.47
POLB P06746 3/20 0.43
MITF O75030 1/20 0.43
ALDH1A1 P00352 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
RECQL P46063 2/20 0.41
CASP6 P55212 2/20 0.41
CTSV O60911 2/20 0.41
CTSL P07711 2/20 0.41

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
SCHEMBL10632685 0.91 NT5E (0.55) NT5EMAPTMEN1KMT2AMAPK1
SCHEMBL2032113 0.84 NT5E (0.85) NT5EMAPTMEN1KMT2AMAPK1
SCHEMBL9744302 0.82 MAPT (0.66) NT5EMAPTMEN1KMT2AMAPK1
SCHEMBL9817732 0.80 MAPT (0.59) NT5EMAPTMEN1KMT2AMAPK1
SCHEMBL9877593 0.79 CA2 (0.51) NT5EMAPK1TDP1GAAPOLB
SCHEMBL29597632 0.79 KMT2A (0.58) MAPTMEN1KMT2ATDP1KDM4E
SCHEMBL9877922 0.79 KMT2A (0.58) MAPTMEN1KMT2ATDP1KDM4E
SCHEMBL10911901 0.79 RAPGEF4 (0.57) NT5EMAPTMEN1KMT2ATDP1
SCHEMBL9878142 0.79 NT5E (0.61) NT5EMAPTMEN1KMT2AMAPK1
SCHEMBL9878203 0.78 ALDH1A1 (0.50) MAPTMEN1KMT2ATDP1KDM4E

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
EP-0212412-B1 POLYAZO DYES BAYER AG (DE) 1992-12-30 EP disclosed
US-4992589-A Substituted phenyl hydroxyethyl sulfones, and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1991-02-12 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