SCHEMBL7746367

SCHEMBL7746367

CCOC(=O)c1c(OC)c(=O)n(Cc2nc3ccccc3n2CCCCF)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
HTT P42858 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 4/20 0.46
KDM4E B2RXH2 3/20 0.46
RECQL P46063 1/20 0.43
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.40
USP2 O75604 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
CNR2 P34972 1/20 0.40

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
SCHEMBL7741914 0.89 ALDH1A1 (0.54) ALDH1A1HTTL3MBTL1LMNAKDM4E
SCHEMBL7746351 0.78 FEN1 (0.44) ALDH1A1HTTLMNAKDM4ERECQL
SCHEMBL7747488 0.75 SMN1; SMN2 (0.40) ALDH1A1HTTL3MBTL1LMNARECQL
SCHEMBL7746317 0.75 MEN1 (0.43) ALDH1A1HTTL3MBTL1LMNARECQL
SCHEMBL7745656 0.74 TDP1 (0.45) ALDH1A1HTTL3MBTL1LMNAKDM4E
SCHEMBL7746911 0.72 MEN1 (0.45) ALDH1A1L3MBTL1LMNAKDM4ERECQL
SCHEMBL7745691 0.72 SMN1; SMN2 (0.47) ALDH1A1L3MBTL1LMNAKDM4ERECQL
SCHEMBL31298140 0.71 KDM4E (0.47) ALDH1A1HTTL3MBTL1LMNAKDM4E
SCHEMBL31298179 0.71 KDM4E (0.47) ALDH1A1HTTL3MBTL1LMNAKDM4E
SCHEMBL8358463 0.71 ALDH1A1 (0.76) ALDH1A1HTTL3MBTL1LMNAKDM4E

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
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed