SCHEMBL9464447

SCHEMBL9464447

CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2cccnc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.55
HDAC4 P56524 5/20 0.55
HDAC6 Q9UBN7 4/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPT P10636 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
POLB P06746 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
KDR P35968 1/20 0.52
CTSS P25774 1/20 0.50
CTSK P43235 1/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
EP300 Q09472 1/20 0.49
MEF2D Q14814 1/20 0.49
NLN Q9BYT8 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48

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
SCHEMBL9464437 1.00 HDAC1 (0.55) HDAC1HDAC4HDAC6MEN1KMT2A
SCHEMBL16999624 0.88 HDAC1 (0.66) HDAC1HDAC4HDAC6MEN1KMT2A
SCHEMBL16993965 0.88 HDAC1 (0.66) HDAC1HDAC4HDAC6MEN1KMT2A
SCHEMBL9465154 0.84 MEN1 (0.54) HDAC1HDAC4HDAC6MEN1KMT2A
SCHEMBL9465166 0.84 MEN1 (0.54) HDAC1HDAC4HDAC6MEN1KMT2A
SCHEMBL23791189 0.83 MAPT (0.59) HDAC1HDAC4HDAC6MEN1KMT2A
SCHEMBL29894495 0.83 MAPT (0.59) HDAC1HDAC4HDAC6MEN1KMT2A
SCHEMBL14360532 0.81 MEN1 (0.55) HDAC1HDAC4HDAC6MEN1KMT2A
SCHEMBL16999798 0.80 HDAC1 (0.45) HDAC1HDAC4HDAC6MEN1KMT2A
SCHEMBL9465321 0.79 POLB (0.62) HDAC6MEN1KMT2AMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5182398-A α-Amino acid diamide and use thereof as cupric ion-transporting ionophore DIRECTOR-GENERAL OF AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1993-01-26 US claimed
JP-5163243-A None JP disclosed
JP-H05163243-A DIAMIDE DERIVATIVE OF ALPHA-AMINO ACID AGENCY OF IND SCIENCE & TECHNOL 1993-06-29 JP disclosed
US-5182398-A α-Amino acid diamide and use thereof as cupric ion-transporting ionophore DIRECTOR-GENERAL OF AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1993-01-26 US disclosed