SCHEMBL7935839

SCHEMBL7935839

COCCOCCn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(CO)ccc21

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
F2 P00734 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
RECQL P46063 1/20 0.50
MAPT P10636 2/20 0.49
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47

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
SCHEMBL7852034 0.93 MEN1 (0.54) MEN1KMT2AF2LMNAGAA
SCHEMBL6697658 0.91 MEN1 (0.51) MEN1KMT2AF2LMNAGAA
SCHEMBL6668886 0.90 MEN1 (0.51) MEN1KMT2AF2LMNAGAA
SCHEMBL6697650 0.89 MEN1 (0.49) MEN1KMT2AF2LMNAGAA
SCHEMBL6669179 0.87 F2 (0.49) MEN1KMT2AF2LMNAGAA
SCHEMBL6697748 0.86 KCNH2 (0.58) MEN1KMT2AF2MAPT
SCHEMBL6693229 0.86 KCNH2 (0.58) MEN1KMT2AF2MAPT
SCHEMBL6694416 0.86 MEN1 (0.51) MEN1KMT2AF2LMNAGAA
SCHEMBL6703119 0.84 F2 (0.47) MEN1KMT2AF2LMNAGAA
SCHEMBL6694747 0.83 MEN1 (0.47) MEN1KMT2ALMNAGAARECQL

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-6248739-B1 DNA POLYMERASE INHIBITORS EFFECTIVE AGAINST HERPESVIRUSES PHARMACIA & UPJOHN COMPANY 2001-06-19 US disclosed