SCHEMBL2186099

SCHEMBL2186099

CCOc1ccccc1CNC(=O)c1cn2c(c(O)c1=O)C(=O)N(CCOC)C(O)C2

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL3525528 0.93 MAPK1 (0.50) TP53POLBMEN1KMT2ASMN1; SMN2
SCHEMBL2187373 0.89 SLC22A2 (0.43)
SCHEMBL3529763 0.89 SLC22A2 (0.43)
SCHEMBL3528388 0.85 P2RX7 (0.50)
SCHEMBL2186319 0.85 SLC22A2 (0.53)
SCHEMBL2186241 0.84 MAPK1 (0.48) TP53POLBMAPTKDM4EMEN1
SCHEMBL2185991 0.84 SLC22A2 (0.44)
SCHEMBL2185556 0.84
SCHEMBL2186875 0.83 SLC22A2 (0.62)
SCHEMBL3523992 0.82 SLC22A2 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1852434-B1 BICYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITING ACTIVITY SHIONOGI & CO (JP) 2011-07-13 EP disclosed
US-7858788-B2 Bicyclic carbamoylpyridone derivative having HIV integrase inhibitory activity SHIONOGI & CO., LTD. (JP) 2010-12-28 US disclosed
EP-1852434-A1 BICYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITING ACTIVITY Shionogi Co., Ltd. (JP) 2007-11-07 EP disclosed