SCHEMBL9833469

SCHEMBL9833469

Cc1cccc(CCCCCCCCCCCCCCC(=O)Cc2c[nH]nc2N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
NAAA Q02083 2/20 0.43
GLS O94925 1/20 0.39
CSF1R P07333 2/20 0.37
DAO P14920 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
NR3C2 P08235 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
CES1 P23141 1/20 0.36
NCEH1 Q6PIU2 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 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
SCHEMBL9834295 0.87 NAAA (0.43) NAAAGLSDAOTAAR1NR3C2
SCHEMBL9832110 0.86 TDP1 (0.41) NAAAGLSTDP1
SCHEMBL9833331 0.84 HDAC1 (0.47) HDAC1HDAC8TAAR1NR3C2
SCHEMBL9834514 0.80 HRH1 (0.41) NAAACES1NCEH1
SCHEMBL9833135 0.80 CNR1 (0.40) HDAC1HDAC6GLS
SCHEMBL9832892 0.79 NAAA (0.37) NAAAGLS
SCHEMBL9832722 0.76 MPO (0.39) HDAC1GLSDAOTAAR1NR3C2
SCHEMBL9832047 0.75 HRH1 (0.45) HDAC1HDAC6NAAAGLS
SCHEMBL9833192 0.75 ALDH1A1 (0.37) HDAC1HDAC6HDAC2GLSTDP1
SCHEMBL765851 0.71 MAPT (0.66) HDAC1HDAC6HDAC3HDAC2HDAC10

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
EP-0129846-B1 (3-AMINO-1H-PYRAZOL-4-YL)(ARYL)METHANONES AMERICAN CYANAMID COMPANY (US) 1991-05-08 EP claimed