SCHEMBL23760600

SCHEMBL23760600

O=C(Nc1ccncc1)c1ccc(-c2ccncc2)cc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.85
L3MBTL1 Q9Y468 1/20 0.85
POLB P06746 2/20 0.83
STAT3 P40763 1/20 0.83
SMN1; SMN2 Q16637 1/20 0.83
GAA P10253 1/20 0.71
KMT2A Q03164 2/20 0.71
NT5E P21589 1/20 0.71
JAK2 O60674 1/20 0.70
TYK2 P29597 1/20 0.70
HDAC1 Q13547 1/20 0.67
HDAC6 Q9UBN7 1/20 0.67
HTT P42858 1/20 0.65
PTPN1 P18031 3/20 0.63
MAPT P10636 1/20 0.63
ROCK2 O75116 3/20 0.61
ROCK1 Q13464 3/20 0.61
MAPK1 P28482 1/20 0.61
MEN1 O00255 1/20 0.60
LMNA P02545 1/20 0.59

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
SCHEMBL23096186 1.00 KDM4E (0.85) KDM4EL3MBTL1POLBSTAT3SMN1; SMN2
SCHEMBL19241698 0.98 KDM4E (0.88) KDM4EL3MBTL1POLBSTAT3SMN1; SMN2
SCHEMBL30828578 0.96 GAA (0.78) KDM4EL3MBTL1POLBSTAT3SMN1; SMN2
SCHEMBL30828573 0.96 GAA (0.78) KDM4EL3MBTL1POLBSTAT3SMN1; SMN2
SCHEMBL23734986 0.92 GAA (0.85) KDM4EL3MBTL1POLBSTAT3SMN1; SMN2
SCHEMBL14716526 0.92 KDM4E (1.00) KDM4EL3MBTL1POLBSTAT3SMN1; SMN2
SCHEMBL29013035 0.91 POLB (1.00) KDM4EL3MBTL1POLBSTAT3SMN1; SMN2
SCHEMBL30828563 0.91 POLB (0.77) KDM4EL3MBTL1POLBSTAT3SMN1; SMN2
SCHEMBL19241697 0.90 GAA (0.88) KDM4EL3MBTL1POLBSTAT3SMN1; SMN2
SCHEMBL20284421 0.90 PTPN1 (0.77) KDM4EL3MBTL1POLBSTAT3SMN1; SMN2

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-3411140-B1 METHOD FOR SEPARATING ACETYLENE FROM A GAS MIXTURE UNIV LIMERICK (IE) 2021-08-18 EP disclosed