SCHEMBL9465166

SCHEMBL9465166

O=CN[C@@H](Cc1ccccc1)C(=O)Nc1cccc2cccnc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
MAPT P10636 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
KDR P35968 1/20 0.52
HDAC1 Q13547 8/20 0.52
HDAC4 P56524 4/20 0.52
HDAC6 Q9UBN7 4/20 0.52
POLB P06746 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
KDM4E B2RXH2 2/20 0.50
RECQL P46063 1/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
NLN Q9BYT8 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 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
SCHEMBL9465154 1.00 MEN1 (0.54) MEN1KMT2AMAPTSMN1; SMN2KDR
SCHEMBL9464437 0.84 HDAC1 (0.55) MEN1KMT2AMAPTSMN1; SMN2KDR
SCHEMBL9464447 0.84 HDAC1 (0.55) MEN1KMT2AMAPTSMN1; SMN2KDR
SCHEMBL16993965 0.83 HDAC1 (0.66) MEN1KMT2AMAPTSMN1; SMN2KDR
SCHEMBL16999624 0.83 HDAC1 (0.66) MEN1KMT2AMAPTSMN1; SMN2KDR
SCHEMBL23791189 0.81 MAPT (0.59) MEN1KMT2AMAPTSMN1; SMN2KDR
SCHEMBL29894495 0.81 MAPT (0.59) MEN1KMT2AMAPTSMN1; SMN2KDR
SCHEMBL22072355 0.81 MEN1 (0.55) MEN1KMT2AMAPTSMN1; SMN2KDR
SCHEMBL30500765 0.81 MEN1 (0.55) MEN1KMT2AMAPTSMN1; SMN2KDR
SCHEMBL14360532 0.78 MEN1 (0.55) MEN1KMT2AMAPTSMN1; SMN2KDR

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-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
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