SCHEMBL8701536

SCHEMBL8701536

Cn1cc(CCC(=O)Nc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
PTPN5 P54829 1/20 0.46
LMNA P02545 3/20 0.46
MAPT P10636 3/20 0.46
TP53 P04637 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 5/20 0.45
MEN1 O00255 3/20 0.45
CSF1R P07333 1/20 0.45
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
YES1 P07947 1/20 0.41
KDR P35968 1/20 0.41
JAK3 P52333 1/20 0.41
GLS O94925 1/20 0.40
TNKS O95271 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL8697968 0.82 HDAC3 (0.57) HDAC3HDAC1HDAC6PTPN5LMNA
SCHEMBL8697858 0.80 HDAC3 (0.64) HDAC3HDAC1HDAC6PTPN5LMNA
SCHEMBL9055298 0.76 YES1 (0.65) HDAC3HDAC1HDAC6PTPN5LMNA
SCHEMBL8701787 0.73 HDAC10 (0.44) HDAC1HDAC6MAPTKMT2AMEN1
SCHEMBL8804198 0.71 NOTUM (0.62) HDAC3HDAC1HDAC6PTPN5LMNA
SCHEMBL8701532 0.70 ALDH1A1 (0.46) MAPTALDH1A1KMT2AMEN1HSD17B10
SCHEMBL24247573 0.69 TP53 (0.67) HDAC3HDAC1HDAC6LMNATP53
SCHEMBL7440886 0.69 ALDH1A1 (0.54) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL8701794 0.69 KMT2A (0.52) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL1225107 0.68 TP53 (0.65) HDAC3HDAC1HDAC6LMNATP53

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-5726319-A Biphenyl substituted dipeptide analogs promote release of growth hormone MERCK & CO., INC. (US) 1998-03-10 US claimed
US-5726319-A Biphenyl substituted dipeptide analogs promote release of growth hormone MERCK & CO., INC. (US) 1998-03-10 US disclosed