SCHEMBL9316674

SCHEMBL9316674

C=C(C)C(=O)CNCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 5/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 1/20 0.46
RECQL P46063 1/20 0.45
KDM4E B2RXH2 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
DPP7 Q9UHL4 2/20 0.44
CYP2C9 P11712 1/20 0.44
MAPT P10636 2/20 0.43
HTT P42858 1/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
PTPN1 P18031 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
SCHEMBL24712403 0.84 ALDH1A1 (0.43) MEN1KMT2ATDP1ALDH1A1HDAC8
SCHEMBL2073087 0.82 MEN1 (0.52) MEN1KMT2ATDP1ALDH1A1KDM4E
SCHEMBL12809838 0.82 MEN1 (0.52) MEN1KMT2ATDP1ALDH1A1HDAC8
Acetic Acid SCHEMBL10842577 0.80 HDAC8 (0.60) MEN1KMT2ATDP1HDAC8HDAC6
SCHEMBL5181873 0.78 THRB (0.56) MEN1KMT2ATDP1ALDH1A1HDAC8
Acetone SCHEMBL8184954 0.78 HDAC8 (0.58) MEN1KMT2ATDP1HDAC8HDAC6
SCHEMBL156664 0.78 MEN1 (0.56) MEN1KMT2ATDP1ALDH1A1HDAC8
SCHEMBL1913535 0.78 MEN1 (0.56) MEN1KMT2ATDP1ALDH1A1HDAC8
SCHEMBL31454393 0.77 HDAC8 (0.53) MEN1KMT2ATDP1ALDH1A1HDAC8
SCHEMBL9334107 0.76 ALDH1A1 (0.53) MEN1KMT2ATDP1ALDH1A1HDAC8

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-5306561-A Preparation of surface-functional polymer particles CORNELL RESEARCH FOUNDATION, INC. (US) 1994-04-26 US disclosed