SCHEMBL17612640

SCHEMBL17612640

Cc1cc(-c2ccc(S(=O)(=O)O)cc2)c2ccc3c(-c4ccc(S(=O)(=O)O)cc4)cc(C)nc3c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
HTT P42858 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.40
APEX1 P27695 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
IKBKB O14920 1/20 0.38
ADORA2A P29274 2/20 0.38
ADORA2B P29275 2/20 0.38
PTGS2 P35354 2/20 0.38
ENPP2 Q13822 1/20 0.36
TSHR P16473 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
SCHEMBL31240983 1.00 ALDH1A1 (0.43) ALDH1A1HTTTDP1LMNAKDM4E
SCHEMBL29674811 1.00 ALDH1A1 (0.43) ALDH1A1HTTTDP1LMNAKDM4E
SCHEMBL12755077 0.96 HTT (0.50) ALDH1A1HTTTDP1LMNAKDM4E
SCHEMBL20943656 0.84 TDP1 (0.40) TDP1LMNAKDM4EMEN1THRB
SCHEMBL10372242 0.79 MMP2 (0.45) ALDH1A1TDP1KDM4EMAPTMEN1
SCHEMBL12727918 0.78 USP7 (0.44) MAPTMEN1BLMKMT2A
SCHEMBL14552147 0.78 CRHR1 (0.47) ALDH1A1LMNAKDM4EMAPTSMN1; SMN2
Bathocuproine SCHEMBL4393344 0.78 CRHR1 (0.39) ALDH1A1TDP1LMNAKDM4EMAPT
SCHEMBL10334284 0.78 MMP2 (0.44) ALDH1A1TDP1KDM4EMAPTMEN1
Bathocuproine SCHEMBL38659029 0.76 CRHR1 (0.47) ALDH1A1LMNAKDM4EMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106706578-A Fluorescence detection method for hydrolase activity 南京理工大学 2017-05-24 CN claimed
US-20200232993-A1 METHODS AND COMPOSITIONS FOR FLUORESCENT AND COLORIMETRIC PROTEIN QUANTITATION PIERCE BIOTECHNOLOGY, INC. 2020-07-23 US disclosed
WO-2019014674-A1 METHODS AND COMPOSITIONS FOR FLUORESCENT AND COLORIMETRIC PROTEIN QUANTITATION PIERCE BIOTECHNOLOGY, INC. (US) 2019-01-17 WO disclosed
CN-106706578-A Fluorescence detection method for hydrolase activity 南京理工大学 2017-05-24 CN disclosed
US-9290528-B1 Light-activated compounds UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2016-03-22 US disclosed