SCHEMBL8907627

SCHEMBL8907627

O=C(n1nnc2c(O)cccc21)n1nnc2c(O)cccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 5/20 0.45
KDM4E B2RXH2 5/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4A O75164 1/20 0.41
RAB9A P51151 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
HIF1AN Q9NWT6 1/20 0.41
MGAM O43451 3/20 0.38
AMY1A P0DUB6 3/20 0.38
GAA P10253 3/20 0.38
SI P14410 3/20 0.38
MGAM2 Q2M2H8 3/20 0.38
KMT2A Q03164 2/20 0.38
F2 P00734 1/20 0.38
HPGD P15428 1/20 0.38
SLC9A1 P19634 1/20 0.38
TSHR P16473 2/20 0.37
MMP2 P08253 1/20 0.37
CHRM1 P11229 1/20 0.37
COMT P21964 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
SCHEMBL8775814 0.78 FAAH (0.40) KCNMA1KDM4EL3MBTL1CHRM1FAAH
SCHEMBL3767410 0.77 ACHE (0.39) KCNMA1KDM4EL3MBTL1KDM4ARAB9A
SCHEMBL4066804 0.75 MAPT (0.48) KMT2AHPGDMAPT
SCHEMBL378660 0.75 POLB (0.50) KCNMA1KDM4EL3MBTL1KDM4ARAB9A
SCHEMBL8425686 0.73 ACHE (0.39) KCNMA1KDM4EL3MBTL1KDM4ARAB9A
Water SCHEMBL3673310 0.73 POLB (0.48) KCNMA1KDM4EL3MBTL1KDM4ARAB9A
SCHEMBL10734042 0.73 SLC9A1 (0.48) KCNMA1KDM4ERAB9AGAAKMT2A
SCHEMBL8146888 0.73 MAPT (0.48) KCNMA1KDM4EL3MBTL1KDM4ARAB9A
SCHEMBL706083 0.71 MGAM (0.68) KCNMA1KDM4EMGAMAMY1AGAA
SCHEMBL8933923 0.70 RAB9A (0.36) KCNMA1KDM4EL3MBTL1KDM4ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5672605-A ADMINISTERING TO TREAT AUTOIMMUNE DISORDERS, TRANSPLANT REJECTION ABBOTT LABORATORIES (US) 1997-09-30 US disclosed
US-5583139-A Marcolide immunomodulators ABBOTT LABORATORIES (US) 1996-12-10 US disclosed
US-5527907-A IMMUNOSUPPRESSANTS ABBOTT LABORATORIES (US) 1996-06-18 US disclosed