SCHEMBL11035463

SCHEMBL11035463

CC(=O)CC(=O)OS(=O)(=O)c1cc(N)ccc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 3/20 0.36
POLB P06746 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
RECQL P46063 1/20 0.36
CASP6 P55212 1/20 0.36
KMT2A Q03164 1/20 0.36
ELAVL1 Q15717 1/20 0.36
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
TSHR P16473 2/20 0.35
CASP1 P29466 2/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL11500997 0.79 CA12 (0.35) ALDH1A1MAPTGAAPOLBKDM4E
SCHEMBL11037152 0.77 TSHR (0.49) ALDH1A1GAATDP1TSHRCA12
SCHEMBL11499613 0.77 KDM4E (0.38) ALDH1A1MAPTL3MBTL1GAAKDM4E
SCHEMBL11035439 0.77 PKM (0.43) ALDH1A1L3MBTL1GAAKDM4EMEN1
Acetoacetic Acid SCHEMBL11035462 0.75 ALDH1A1 (0.46) ALDH1A1MAPTL3MBTL1GAAPOLB
SCHEMBL11244972 0.75 F2 (0.50) ALDH1A1POLBTDP1TSHRCA12
SCHEMBL11500660 0.75 CA12 (0.46) ALDH1A1MAPTKMT2ATSHRCA12
SCHEMBL11501002 0.75 GAA (0.43) ALDH1A1GAAPOLBMGAMSI
SCHEMBL11225451 0.70 PKM (0.45) ALDH1A1L3MBTL1GAAKDM4EMGAM
SCHEMBL11235235 0.70 PKM (0.53) ALDH1A1L3MBTL1GAAPOLBKDM4E

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
US-4540776-A Reactive fluorotriazinylaminonaphthotriazolyphenylazopyridone or pyrimidone dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1985-09-10 US disclosed
US-3966703-A Asymmetrical frisazo dyestuffs derived from diazotized 2,7-diamino-carbazole BAYER AKTIENGESELLSCHAFT (DT) 1976-06-29 US disclosed