SCHEMBL9724786

SCHEMBL9724786

[CH2][C@@H](Cc1ccccc1)C(=O)Nc1cccc(N)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDX3X O00571 2/20 0.51
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
MAPT P10636 5/20 0.49
TP53 P04637 3/20 0.49
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.45
RAB9A P51151 1/20 0.44
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL9724808 0.85 MEN1 (0.53) MAPTTP53ALDH1A1RAB9AGAA
SCHEMBL9724970 0.84 MAPT (0.55) MAPTTP53ALDH1A1SMN1; SMN2RAB9A
SCHEMBL9724967 0.84 MAPT (0.67) MAPTTP53ALDH1A1SMN1; SMN2RAB9A
SCHEMBL9724923 0.84 RAB9A (0.50) HDAC1MAPTTP53SMN1; SMN2RAB9A
SCHEMBL9724979 0.81 MME (0.53) MAPTALDH1A1MEN1KMT2A
SCHEMBL9724859 0.80 ALDH1A1 (0.60) MAPTTP53ALDH1A1SMN1; SMN2GAA
SCHEMBL9724920 0.80 RAB9A (0.67) MAPTALDH1A1RAB9AMEN1LMNA
SCHEMBL9724829 0.77 BACE1 (0.54) MAPTTP53SMN1; SMN2RAB9AGAA
SCHEMBL9724833 0.75 LMNA (0.54) ALDH1A1SMN1; SMN2RAB9AMEN1LMNA
SCHEMBL9724796 0.75 HDAC1 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2

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-5098934-A Enkephalinase inhibitors as analgesics or anticargcinogenic agents ROUSSEL UCLAF (FR) 1992-03-24 US disclosed