SCHEMBL28079947

SCHEMBL28079947

COc1cccc(OC)c1C1=CC(=O)NC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA7 P43166 3/20 0.44
CA9 Q16790 3/20 0.44
TOP1 P11387 1/20 0.43
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
APAF1 O14727 1/20 0.42
MITF O75030 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
BACE1 P56817 2/20 0.40
EGFR P00533 1/20 0.39
PIM1 P11309 1/20 0.39
KDM4E B2RXH2 2/20 0.39
USP2 O75604 1/20 0.39
DUSP3 P51452 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL211026 0.81 L3MBTL1 (0.51) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL11323197 0.80 PRMT1 (0.44) CA1CA2CA7CA9TOP1
Ammonia Solution, Strong SCHEMBL27959164 0.79 L3MBTL1 (0.54) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL505505 0.76 DAO (0.40) CA1CA2CA7CA9CA12
SCHEMBL5879128 0.75 KDM4E (0.48) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL5879149 0.75 HTR2A (0.47) EGFRGSK3B
SCHEMBL3677437 0.73 PDK2 (0.39) MAPTLMNAMEN1KMT2AGSK3B
SCHEMBL11327793 0.72 L3MBTL1 (0.49) MAPTKDM4E
SCHEMBL8048337 0.72 CES1 (0.48) ALDH1A1
SCHEMBL3392688 0.71 GABRA1 (0.36) CA1CA2CA7CA9LMNA

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
CN-103797613-B slurry for secondary battery 日本瑞翁株式会社 2016-08-31 CN disclosed