SCHEMBL10555331

SCHEMBL10555331

CCCNC(C)(C)C.CCc1cccc(NC=O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
HDAC4 P56524 3/20 0.37
HDAC3 O15379 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC10 Q969S8 2/20 0.37
HDAC11 Q96DB2 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC9 Q9UKV0 2/20 0.37
HDAC5 Q9UQL6 2/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL1188674 0.85 RAPGEF4 (0.49) RAPGEF4MAPTSMN1; SMN2HDAC4HDAC3
SCHEMBL10557801 0.82 HDAC3 (0.41) RAPGEF4MAPTSMN1; SMN2HDAC4HDAC3
SCHEMBL10551933 0.82 HDAC3 (0.41) RAPGEF4MAPTSMN1; SMN2HDAC4HDAC3
SCHEMBL10551251 0.80 MAPT (0.55) MAPTSMN1; SMN2HDAC4HDAC3HDAC1
SCHEMBL10558831 0.78 SIGMAR1 (0.43) RAPGEF4MAPTSMN1; SMN2HDAC4HDAC3
SCHEMBL10556734 0.77 MAPT (0.50) MAPTSMN1; SMN2HDAC4HDAC3HDAC1
SCHEMBL10924981 0.77 MAPT (0.53) MAPTSMN1; SMN2HDAC4HDAC3HDAC1
SCHEMBL10557190 0.77 SMN1; SMN2 (0.43) RAPGEF4MAPTSMN1; SMN2HDAC4HDAC3
SCHEMBL10925164 0.76 KDM5A (0.41) MAPK1PTGS2
SCHEMBL10559062 0.76 SMN1; SMN2 (0.39) RAPGEF4MAPTSMN1; SMN2HDAC4HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4847269-A GLAUCOMA, AMIDES OR UREA DERIVATIVES OF AMINOETHYLCARBOXY COMPOUNDS SYNTEX (U.S.A.) INC. (US) 1989-07-11 US disclosed
US-4629730-A ADMINISTERING DIALKYL OR CYCLOAKYL AMINO ETHYLANILINE DERIVATIVES SYNTEX (U.S.A.) INC. (US) 1986-12-16 US disclosed
EP-0180994-A2 Antihypertensive dialkyl aminoethylaniline derivatives SYNTEX (U.S.A.) INC. (US) 1986-05-14 EP disclosed