SCHEMBL93650

SCHEMBL93650

CNC(=O)c1cccnc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
P2RX7 Q99572 1/20 0.47
PLK1 P53350 2/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.46
TP53 P04637 1/20 0.45
KDM4E B2RXH2 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
BLM P54132 1/20 0.41
AGER Q15109 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA1A P35348 1/20 0.41

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
SCHEMBL161745 0.81 GAA (0.48) GAAP2RX7PLK1LMNAPOLB
SCHEMBL4766191 0.81 P2RX7 (0.71) GAAP2RX7PLK1LMNAPOLB
SCHEMBL26336052 0.81 P2RX7 (0.43) GAAP2RX7LMNAKDM4ETDP1
SCHEMBL107347 0.81 P2RX7 (0.66) GAAP2RX7KDM4ETDP1L3MBTL1
SCHEMBL6653582 0.80 CHIA (0.56) P2RX7LMNAKDM4EL3MBTL1KMT2A
SCHEMBL3634145 0.80 SMN1; SMN2 (0.41) GAAP2RX7LMNAPOLBKDM4E
SCHEMBL26336039 0.80 MAPK8 (0.48) P2RX7LMNAKDM4EKMT2AALDH1A1
SCHEMBL19983228 0.79 GAA (0.47) GAAP2RX7PLK1LMNAPOLB
SCHEMBL9569279 0.79 GAA (0.47) GAAP2RX7PLK1LMNAPOLB
SCHEMBL1467988 0.79 SMN1; SMN2 (0.61) GAALMNAPOLBTDP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2425878-A1 Protective coating compostition Nederlandse Organisatie voor toegepast -natuurwetenschappelijk onderzoek TNO (NL) 2012-03-07 EP disclosed