SCHEMBL8715140

SCHEMBL8715140

NCc1ccc(NCC(=O)NN2c3ccccc3CCCC2C(=O)c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
CFD P00746 2/20 0.37
TP53 P04637 2/20 0.37
POLB P06746 3/20 0.36
LMNA P02545 4/20 0.35
THRB P10828 1/20 0.35
RECQL P46063 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL8713941 0.89 POLB (0.41) TP53POLBLMNAALDH1A1GAA
SCHEMBL8718454 0.82 ALDH1A1 (0.48) LMNAALDH1A1MEN1KMT2A
SCHEMBL8716872 0.81 POLB (0.45) HDAC3HDAC1HDAC7HDAC2HDAC10
SCHEMBL8717614 0.78 KMT2A (0.41) TP53POLBLMNAALDH1A1GAA
SCHEMBL8715144 0.77 CFD (0.39) CFDTP53LMNA
SCHEMBL8715310 0.76 ALDH1A1 (0.46) POLBKDM4EALDH1A1GAAMEN1
SCHEMBL8718492 0.74 MAPT (0.42) HDAC3HDAC1HDAC7HDAC2HDAC10
SCHEMBL8717599 0.73 MTNR1A (0.35) HDAC3HDAC1HDAC7HDAC2HDAC10
SCHEMBL8714612 0.72 ALDH1A1 (0.51) TP53POLBLMNAKDM4EALDH1A1
SCHEMBL8718123 0.72 TAOK1 (0.51) POLBKDM4EALDH1A1GAAMEN1

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-5753677-A Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed