SCHEMBL8701787

SCHEMBL8701787

NC(=O)CCc1cn(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC10 Q969S8 3/20 0.44
HDAC6 Q9UBN7 3/20 0.44
YES1 P07947 2/20 0.44
KDR P35968 2/20 0.44
JAK3 P52333 2/20 0.44
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
MAPT P10636 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HTR6 P50406 1/20 0.39
ICMT O60725 1/20 0.39
PADI4 Q9UM07 1/20 0.39

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
SCHEMBL8696232 0.80 POLB (0.55) HDAC10HDAC6YES1KDRJAK3
SCHEMBL8701532 0.76 ALDH1A1 (0.46) MEN1KMT2AMAPT
SCHEMBL8698313 0.75 CD274 (0.39)
SCHEMBL7382950 0.74 PTGER1 (0.35)
SCHEMBL8701536 0.73 HDAC3 (0.51) HDAC6YES1KDRJAK3MEN1
SCHEMBL8939296 0.72 PDE4A (0.54) MEN1KMT2AHTR6
SCHEMBL8325881 0.71 CHRM1 (0.45)
SCHEMBL3320748 0.71 AGTR1 (0.49)
SCHEMBL9192715 0.71 CYP11B1 (0.59) HDAC6POLBHDAC1
SCHEMBL8328346 0.70 CHRM1 (0.55)

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