SCHEMBL9566471

SCHEMBL9566471

COc1ccc(Cl)cc1-c1nc(N)nc(N)n1

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.78
ALDH1A1 P00352 2/20 0.76
AGPAT2 O15120 12/20 0.72
MEN1 O00255 1/20 0.69
LMNA P02545 1/20 0.69
KMT2A Q03164 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
HRH4 Q9H3N8 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.63
HTR2B P41595 1/20 0.62
PDE4D Q08499 1/20 0.62
KDM4E B2RXH2 1/20 0.57
HSP90AA1 P07900 1/20 0.52
HSP90AB1 P08238 1/20 0.52

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
SCHEMBL4366486 0.85 AGPAT2 (1.00) RECQLALDH1A1AGPAT2MEN1LMNA
SCHEMBL4279053 0.83 RECQL (0.60) RECQLALDH1A1AGPAT2MEN1LMNA
SCHEMBL4281666 0.83 AGPAT2 (0.67) RECQLALDH1A1AGPAT2MEN1LMNA
SCHEMBL9566545 0.82 RECQL (0.56) RECQLALDH1A1AGPAT2MEN1LMNA
SCHEMBL2622384 0.82 AGPAT2 (0.88) RECQLALDH1A1AGPAT2MEN1LMNA
SCHEMBL2622388 0.82 AGPAT2 (0.88) RECQLALDH1A1AGPAT2MEN1LMNA
SCHEMBL4358716 0.81 AGPAT2 (0.82) RECQLALDH1A1AGPAT2MEN1LMNA
SCHEMBL4362545 0.81 AGPAT2 (0.86) RECQLALDH1A1AGPAT2MEN1LMNA
SCHEMBL13622456 0.81 AGPAT2 (0.86) RECQLALDH1A1AGPAT2MEN1LMNA
SCHEMBL9566435 0.80 MGAM (0.54) RECQLALDH1A1AGPAT2MEN1LMNA

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-0563386-A1 ANTICANCER COMPOSITION AND COMPOUND NIPPON SHINYAKU COMPANY, LIMITED (JP) 1993-10-06 EP disclosed