SCHEMBL11822452

SCHEMBL11822452

CC(C)Nc1cc(NN)nnc1Cl

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
NR4A2 P43354 1/20 0.33
KAT2B Q92831 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
AOC1 P19801 1/20 0.30
AOC3 Q16853 1/20 0.30
LRRK2 Q5S007 1/20 0.30
GOT1 P17174 1/20 0.30

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
SCHEMBL11833039 0.79 GAA (0.41) GAAMAPTALDH1A1TDP1KDM4E
SCHEMBL11831985 0.77 TDP1 (0.40) GAAALDH1A1NR4A2KAT2BTRPM8
SCHEMBL11824586 0.75 GAA (0.37) GAAMAPTALDH1A1KDM4EHTT
SCHEMBL9907139 0.74 GAA (0.39) GAAMAPTALDH1A1KDM4EHTT
SCHEMBL1189327 0.71 MAPT (0.43) GAAMAPTALDH1A1TDP1KDM4E
SCHEMBL11824272 0.70 CYP2C19 (0.42) GAAMAPTALDH1A1TDP1KDM4E
SCHEMBL11818709 0.70 TLR8 (0.39) GAAMAPTALDH1A1NR4A2KDM4E
SCHEMBL11833599 0.70 MAPT (0.40) GAAMAPTALDH1A1TDP1KDM4E
Hydrochloric Acid SCHEMBL11825997 0.69 TLR8 (0.38) GAAMAPTALDH1A1NR4A2KDM4E
SCHEMBL11823540 0.69 GAA (0.33) GAAMAPTALDH1A1KDM4EHTT

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
US-3978057-A HYPOTENSIVE AGENTS SANDOZ, INC. (US) 1976-08-31 US disclosed