SCHEMBL11028624

SCHEMBL11028624

COc1ccc(Nc2nc(C)c(-c3cc(C#N)c(=O)[nH]c3C)s2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.51
KMT2A Q03164 9/20 0.51
GAA P10253 7/20 0.51
MAPT P10636 7/20 0.51
KDM4E B2RXH2 6/20 0.51
HPGD P15428 5/20 0.51
ALDH1A1 P00352 5/20 0.51
NPC1 O15118 5/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
POLB P06746 3/20 0.45
RXFP1 Q9HBX9 1/20 0.43
LMNA P02545 2/20 0.43
TSHR P16473 2/20 0.43
PDE3B Q13370 2/20 0.43
PDE3A Q14432 2/20 0.43
PDE5A O76074 1/20 0.43
PTGS1 P23219 1/20 0.43

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
SCHEMBL3427200 0.86 MEN1 (0.45) MEN1KMT2AGAAMAPTKDM4E
SCHEMBL11018819 0.82 KDM4E (0.59) MEN1KMT2AGAAMAPTKDM4E
SCHEMBL11021037 0.78 KDM4E (0.49) MEN1KMT2AGAAKDM4EHPGD
SCHEMBL11053386 0.77 PIK3CG (0.55) MEN1KMT2AGAAKDM4EHPGD
SCHEMBL5480537 0.74 KDM4E (0.69) MEN1KMT2AGAAMAPTKDM4E
SCHEMBL4168076 0.74 MAPT (0.46) MEN1KMT2AGAAMAPTKDM4E
SCHEMBL11019345 0.73 KDM4E (0.57) MEN1KMT2AGAAKDM4EHPGD
SCHEMBL11020469 0.72 PTGS2 (0.49) MEN1KMT2AGAAMAPTKDM4E
SCHEMBL11020274 0.71 MEN1 (0.65) MEN1KMT2AGAAMAPTKDM4E
SCHEMBL11021551 0.70 MEN1 (0.77) MEN1KMT2AGAAMAPTKDM4E

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-0154190-A1 Pyridones MERCK PATENT GmbH (DE) 1985-09-11 EP disclosed