SCHEMBL8696232

SCHEMBL8696232

NC(=O)CCc1cn(Cc2ccc(-c3ccccc3)cc2)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
HDAC6 Q9UBN7 3/20 0.53
HDAC10 Q969S8 2/20 0.53
PADI4 Q9UM07 1/20 0.52
YES1 P07947 1/20 0.52
KDR P35968 1/20 0.52
JAK3 P52333 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPT P10636 1/20 0.52
HTR6 P50406 1/20 0.51
ALDH1A1 P00352 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ICMT O60725 3/20 0.51
PLA2G4A P47712 1/20 0.51
RXFP1 Q9HBX9 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC8 Q9BY41 1/20 0.50

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
SCHEMBL20248221 0.81 MEN1 (0.62) POLBPADI4MEN1KMT2AMAPT
SCHEMBL2006750 0.81 PLA2G4A (0.68) POLBHDAC6HDAC10PADI4YES1
SCHEMBL5641773 0.80 HTR6 (0.62) POLBHDAC6HDAC10YES1KDR
SCHEMBL8701787 0.80 HDAC10 (0.44) POLBHDAC6HDAC10PADI4YES1
SCHEMBL4595500 0.79 POLB (0.64) POLBHDAC6HDAC10PADI4KMT2A
SCHEMBL8289938 0.79 PLA2G2A (0.74) POLBKMT2AALDH1A1SMN1; SMN2ICMT
SCHEMBL9670003 0.79 POLB (0.60) POLBHDAC6HDAC10PADI4YES1
SCHEMBL5329307 0.76 POLB (0.72) POLBHDAC6HDAC10PADI4HTR6
Hydrochloric Acid SCHEMBL20605339 0.75 HDAC6 (0.59) POLBHDAC6HDAC10PADI4KDR
SCHEMBL20248189 0.74 HTR6 (0.62) POLBHDAC6HDAC10MAPTHTR6

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 disclosed