SCHEMBL20014682

SCHEMBL20014682

O=C(O)c1cn2c(c(O)c1=O)C(=O)N(Cc1ccccn1)CC2

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
ALDH1A1 P00352 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4C Q9H3R0 1/20 0.39
FEN1 P39748 1/20 0.39
P2RX7 Q99572 1/20 0.38
MEN1 O00255 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 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
SCHEMBL20014376 0.84 LMNA (0.46) POLBTDP1KMT2A
SCHEMBL20014667 0.80 ALDH1A1 (0.44) KDM4EPOLBTDP1ALDH1A1L3MBTL1
SCHEMBL20014681 0.79 KDM4E (0.43) KDM4EALDH1A1L3MBTL1
SCHEMBL14129953 0.77 SCD (0.53) KDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL20014678 0.77 FEN1 (0.40) POLBTDP1FEN1
SCHEMBL5132284 0.77 NPC1 (0.41) POLBALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL4318931 0.77 SCD (0.52) KDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL6411852 0.77 POLB (0.46) POLBTDP1KMT2A
SCHEMBL5132211 0.76 AKR1B1 (0.45) POLBALDH1A1MEN1KMT2A
SCHEMBL23843697 0.76 KDM4E (0.40) KDM4EALDH1A1

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-2620436-B1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO (JP) 2018-05-09 EP disclosed
EP-2444400-B1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE SHIONOGI & CO (JP) 2018-03-28 EP disclosed