SCHEMBL4316722

SCHEMBL4316722

COCCOCc1nn[nH]n1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTH P32929 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CTNNB1 P35222 2/20 0.38
MAPT P10636 1/20 0.37
KDM6B O15054 1/20 0.33
KDM4A O75164 1/20 0.33
KDM5A P29375 1/20 0.33

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
SCHEMBL12060954 0.81
SCHEMBL16290202 0.78
SCHEMBL24033863 0.72 CA12 (0.49) L3MBTL1ALDH1A1LMNAMEN1KMT2A
SCHEMBL24033543 0.72 CA12 (0.41) L3MBTL1ALDH1A1LMNAMEN1KMT2A
SCHEMBL13423070 0.69
SCHEMBL14348162 0.68 L3MBTL1 (0.45) L3MBTL1ALDH1A1LMNAMEN1KMT2A
SCHEMBL3644558 0.67 TSHR (0.54) MEN1KMT2ACTNNB1
SCHEMBL24192978 0.65 L3MBTL1 (0.42) L3MBTL1ALDH1A1LMNAMEN1KMT2A
SCHEMBL253271 0.65
SCHEMBL9986002 0.64 L3MBTL1 (0.79) CTHL3MBTL1ALDH1A1LMNACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2056844-A2 NOVEL MACROLIDES AND KETOLIDES HAVING ANTIMICROBIAL ACTIVITY Wockhardt Research Centre (IN) 2009-05-13 EP disclosed
WO-2008023248-A2 NOVEL MACROLIDES AND KETOLIDES HAVING ANTIMICROBIAL ACTIVITY WOCKHARDT RESEARCH CENTRE (IN) 2008-02-28 WO disclosed