SCHEMBL8909201

SCHEMBL8909201

COC(=O)c1cc(C)nc(-c2cc(C(=O)OC)cc(CBr)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
ALDH1A1 P00352 5/20 0.42
KMT2A Q03164 4/20 0.41
HPGD P15428 3/20 0.41
MEN1 O00255 3/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
GAA P10253 3/20 0.38
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
POLB P06746 1/20 0.38
NFKB1 P19838 1/20 0.38
XDH P47989 1/20 0.38
GFER P55789 1/20 0.38

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
SCHEMBL9069963 0.92 KDM4E (0.49) KDM4EALDH1A1KMT2AHPGDMEN1
SCHEMBL9288795 0.86 KDM4E (0.55) KDM4EALDH1A1KMT2AHPGDMEN1
SCHEMBL9640394 0.85 ACACB (0.38) CA12CA1CA2CA9CA14
SCHEMBL5203591 0.84 KDM4E (0.53) KDM4EALDH1A1KMT2AHPGDMEN1
SCHEMBL8908305 0.83 TPMT (0.37) ALDH1A1TDP1KDM5CSMN1; SMN2MAPK1
SCHEMBL13838781 0.79 KDM4E (0.45) KDM4EALDH1A1KMT2AHPGDMEN1
SCHEMBL17789604 0.78 KDM4E (0.47) KDM4EALDH1A1KMT2AHPGDMEN1
SCHEMBL2718011 0.77 ALDH1A1 (0.47) KDM4EALDH1A1KMT2AHPGDMEN1
SCHEMBL31347123 0.77 ALDH1A1 (0.47) KDM4EALDH1A1KMT2AHPGDMEN1
SCHEMBL5204247 0.77 KDM4E (0.61) KDM4EALDH1A1KMT2AHPGDMEN1

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
EP-0601113-B1 RARE EARTH MACROCYCLIC COMPLEXES AND USE THEREOF FOR REDUCTION OF DISTURBANCES IN AN ASSAY USING FLUORESCENCE CIS BIO INT (FR) 1997-01-08 EP disclosed
US-5457184-A Medical diagnosis CIS BIO INTERNATIONAL (FR) 1995-10-10 US disclosed
EP-0601113-A1 RARE EARTH MACROCYCLIC COMPLEXES AND USE THEREOF FOR REDUCTION OF DISTURBANCES IN AN ASSAY USING FLUORESCENCE. CIS BIO INT (FR) 1994-06-15 EP disclosed
WO-1993005049-A1 RARE EARTH MACROCYCLIC COMPLEXES AND USE THEREOF FOR REDUCTION OF DISTURBANCES IN AN ASSAY USING FLUORESCENCE CIS BIO INTERNATIONAL (FR) 1993-03-18 WO disclosed