SCHEMBL9397382

SCHEMBL9397382

CCOC(=O)c1cc(=O)n(-c2ccc(N)cc2S(=O)(=O)O)[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
KDM4E B2RXH2 5/20 0.57
LMNA P02545 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAOA P21397 1/20 0.38
MAPT P10636 7/20 0.37
MEN1 O00255 6/20 0.37
KMT2A Q03164 6/20 0.37
HSD17B10 Q99714 2/20 0.37
GAA P10253 5/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
POLB P06746 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
BRD4 O60885 2/20 0.36
HTT P42858 1/20 0.36
ADORA3 P0DMS8 2/20 0.36
RAB9A P51151 3/20 0.36
MPL P40238 1/20 0.35

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
SCHEMBL11140976 0.89 KDM4E (0.42) ALDH1A1KDM4ECYP1A2MAPTMEN1
SCHEMBL5159217 0.88 ALDH1A1 (0.58) ALDH1A1KDM4ELMNAMAPTMEN1
SCHEMBL11042142 0.85 KDM4E (0.58) ALDH1A1KDM4ELMNACYP3A4MAPT
SCHEMBL7894943 0.82 ALDH1A1 (0.49) ALDH1A1KDM4ELMNAMAPTMEN1
SCHEMBL7830050 0.82 ALKBH5 (0.45) ALDH1A1KDM4EMAPTHSD17B10GAA
SCHEMBL11139711 0.81 KDM4E (0.40) ALDH1A1KDM4ECYP1A2MAPTMEN1
SCHEMBL8751481 0.80 ALDH1A1 (0.49) ALDH1A1KDM4ELMNAMAPTMEN1
SCHEMBL7840819 0.80 MAPT (0.44) ALDH1A1KDM4ELMNAMAPTMEN1
SCHEMBL8990086 0.79 ALDH1A1 (0.58) ALDH1A1KDM4ELMNAMAPTMEN1
SCHEMBL10755227 0.78 ALDH1A1 (0.57) ALDH1A1KDM4ELMNACYP1A2CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5300633-A Lightfast, washfast HOECHST AKTIENGESELLSCHAFT (DE) 1994-04-05 US disclosed
EP-0513657-A2 Water-soluble azo compounds, process for their preparation and their use as dyes HOECHST AKTIENGESELLSCHAFT (DE) 1992-11-19 EP disclosed
US-5015732-A Copper monoazo dyes with triazine groups for reaction with cellulose or polyamide fibers HOECHST AKTIENGESELLSCHAFT (DE) 1991-05-14 US disclosed