SCHEMBL6435155

SCHEMBL6435155

NCC(=O)Oc1ccc2cccnc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.49
KDM4E B2RXH2 4/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 4/20 0.42
PARP1 P09874 1/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TP53 P04637 2/20 0.37
HTT P42858 2/20 0.37
GMNN O75496 1/20 0.37
HSP90AA1 P07900 1/20 0.37
MMP2 P08253 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MMP9 P14780 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL27575240 0.79 KDM4E (0.53) LMNAKDM4EKMT2AMEN1ALDH1A1
SCHEMBL6983292 0.75 LMNA (0.63) LMNAKDM4EKMT2AMEN1ALDH1A1
SCHEMBL7414860 0.75 TSHR (0.40) LMNAKDM4EKMT2AALDH1A1SMN1; SMN2
SCHEMBL28769096 0.74 HSD17B10 (0.49) LMNAKDM4EKMT2AMEN1ALDH1A1
SCHEMBL7012647 0.73 EGLN1 (0.44) LMNAKDM4EKMT2AMEN1ALDH1A1
SCHEMBL7020816 0.72 HSP90AA1 (0.63) LMNAKDM4EKMT2AMEN1ALDH1A1
SCHEMBL7017409 0.72 EGLN1 (0.53) LMNAKDM4EKMT2AMEN1ALDH1A1
SCHEMBL7016726 0.71 SMN1; SMN2 (0.52) LMNAKDM4EKMT2AMEN1ALDH1A1
SCHEMBL7011986 0.71 HSP90AA1 (0.51) LMNAKDM4EKMT2AMEN1ALDH1A1
SCHEMBL7015297 0.71 NPC1 (0.49) LMNAKDM4EKMT2AMEN1ALDH1A1

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-1561753-A2 Benzo[b]chromenonapthyridin-7-one and pyrano[2',3':7,8]quino[2,3-b]Quinoxalin-7-one derivatives, process of synthesis, pharmaceutical compositions and their antitumoral properties for the treatment of cancer Les Laboratoires Servier (FR) 2005-08-10 EP disclosed