SCHEMBL28675327

SCHEMBL28675327

CCc1cc(C(=O)NN)cc(NN)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.42
ALDH1A1 P00352 4/20 0.42
GAA P10253 3/20 0.42
MAPT P10636 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
BLM P54132 2/20 0.42
LMNA P02545 2/20 0.42
NSD2 O96028 1/20 0.42
ALPL P05186 1/20 0.42
POLB P06746 1/20 0.42
ALPI P09923 1/20 0.42
ALPG P10696 1/20 0.42
APEX1 P27695 1/20 0.42
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.42
CASP6 P55212 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MPO P05164 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL13151303 0.83 BRD4 (0.41) ALDH1A1HTTTDP1CYP3A4CYP1A2
SCHEMBL1424914 0.81 KDM4E (0.43) KDM4EALDH1A1GAAMAPTL3MBTL1
Hydrochloric Acid SCHEMBL2747188 0.80 KDM4E (0.42) KDM4EALDH1A1GAAMAPTL3MBTL1
SCHEMBL219689 0.76 KDM4E (0.49) KDM4EALDH1A1GAAMAPTL3MBTL1
SCHEMBL2989555 0.71 CYP1A2 (0.60) KDM4EALDH1A1GAAMAPTL3MBTL1
SCHEMBL1425350 0.69 RAB9A (0.40) ALDH1A1GAAMAPTPOLBTDP1
SCHEMBL12852753 0.69 KDM4E (0.46) KDM4EALDH1A1GAAMAPTL3MBTL1
SCHEMBL11584397 0.69 KDM4E (0.52) KDM4EALDH1A1GAAMAPTL3MBTL1
SCHEMBL1178795 0.69 KDM4E (0.52) KDM4EALDH1A1GAAMAPTL3MBTL1
SCHEMBL1893743 0.69 KDM4E (0.68) KDM4EALDH1A1GAAMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113698853-B Coating and preparation method and application thereof 湖南松井新材料股份有限公司 2022-08-09 CN disclosed
CN-113698853-A Coating and preparation method and application thereof 湖南松井新材料股份有限公司 2021-11-26 CN disclosed