SCHEMBL27622347

SCHEMBL27622347

C=C(C(=O)c1ccccc1)c1c[nH]c(=O)nc1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.36
CES1 P23141 4/20 0.36
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
MAPT P10636 3/20 0.35
LMNA P02545 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
XBP1 P17861 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LDHA P00338 1/20 0.34
LDHB P07195 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 2/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
EGFR P00533 2/20 0.33
GAA P10253 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
SCHEMBL10580660 0.82 MAPT (0.47) ADORA1MAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL4359910 0.74 KDM4E (0.40) ADORA2AADORA1MAPTKDM4EALDH1A1
SCHEMBL932304 0.72
SCHEMBL7209768 0.71 IKBKB (0.41) ADORA2AADORA1MAPTATMKDM4E
SCHEMBL10476788 0.70 CES2 (0.59) CES2CES1MAPTLMNANPSR1
SCHEMBL6822743 0.70 CTNNB1 (0.59) ATMALDH1A1MAPK1CTNNB1WNT3A
SCHEMBL3485241 0.68 PARP1 (0.47) MAPTLMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL761381 0.66 CES2 (0.65) CES2CES1MAPTLMNANPSR1
SCHEMBL21223630 0.65 KDM3B (0.33) KDM4ECSNK2A2CSNK2BCSNK2A1
SCHEMBL10476789 0.64 CES2 (0.67) CES2CES1MAPTLMNANPSR1

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-1646141-B Modified nucleosides for treating viral infections and abnormal cell proliferation PHARMASSET LTD 2014-06-25 CN disclosed
CN-101862345-B Modified nucleosides for treatment of viral infections and abnormal cellular proliferation GILEAD SCIENCES INC 2014-06-04 CN disclosed
CN-101862345-A The modified nucleosides that is used for the treatment of viral infection and abnormal cell proliferation PHARMASSET LTD 2010-10-20 CN disclosed
CN-1646141-A Modified nucleosides for treating viral infections and abnormal cell proliferation PHARMASSET LTD (BB) 2005-07-27 CN disclosed