SCHEMBL28045482

SCHEMBL28045482

CCCCCc1cc(Cl)ccc1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 2/20 0.46
FLT1 P17948 2/20 0.46
FLT4 P35916 2/20 0.46
KDR P35968 2/20 0.46
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 4/20 0.44
GLA P06280 2/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 3/20 0.42
POLB P06746 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KCNK2 O95069 1/20 0.41
THRB P10828 1/20 0.41
RECQL P46063 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL7207267 0.98 SIRT1 (0.45) SIRT1FLT1FLT4KDRALDH1A1
SCHEMBL28837661 0.95 FLT1 (0.47) SIRT1FLT1FLT4KDRALDH1A1
SCHEMBL28252825 0.89 FLT1 (0.56) SIRT1FLT1FLT4KDRALDH1A1
SCHEMBL6057107 0.84 PPARA (0.54) ALDH1A1KDM4EMEN1KMT2AKCNK2
SCHEMBL27609036 0.84 FLT1 (0.46) SIRT1FLT1FLT4KDRALDH1A1
SCHEMBL8922126 0.84 PPARA (0.54) ALDH1A1KDM4EMEN1KMT2AKCNK2
SCHEMBL5710049 0.84 PPARA (0.54) ALDH1A1KDM4EMEN1KMT2AKCNK2
SCHEMBL7887100 0.83 FLT1 (0.53) SIRT1FLT1FLT4KDRALDH1A1
SCHEMBL28705838 0.83 MEN1 (0.50) ALDH1A1KDM4EGLAGAAMAPT
SCHEMBL20981385 0.83 MEN1 (0.43) ALDH1A1KDM4EGLAGAAMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105218391-A D-tartrate monoesters monoamide compounds TIANJIN GREENPINE CHINESE MEDICINE PHARMACEUTICAL CO LTD 2016-01-06 CN claimed
CN-105218392-A L-TARTARIC ACID monoesters monoamide compounds TIANJIN GREENPINE CHINESE MEDICINE PHARMACEUTICAL CO LTD 2016-01-06 CN claimed
CN-105218391-A D-tartrate monoesters monoamide compounds TIANJIN GREENPINE CHINESE MEDICINE PHARMACEUTICAL CO LTD 2016-01-06 CN disclosed
CN-105218392-A L-TARTARIC ACID monoesters monoamide compounds TIANJIN GREENPINE CHINESE MEDICINE PHARMACEUTICAL CO LTD 2016-01-06 CN disclosed