SCHEMBL8908200

SCHEMBL8908200

O=C(c1cccc2c1nnn2O)c1cccc2c1nnn2O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.46
POLB P06746 1/20 0.46
ATM Q13315 1/20 0.46
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.38
KCNMA1 Q12791 1/20 0.35
MGAM O43451 5/20 0.33
AMY1A P0DUB6 5/20 0.33
GAA P10253 5/20 0.33
SI P14410 5/20 0.33
MGAM2 Q2M2H8 5/20 0.33
PARP1 P09874 3/20 0.33
F12 P00748 1/20 0.32
MIF P14174 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HPGD P15428 2/20 0.31
KDM4E B2RXH2 1/20 0.31
F2 P00734 1/20 0.31
SLC9A1 P19634 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL724308 0.87 MAPK1 (0.51) MAPK1POLBATMMAPTLMNA
SCHEMBL30144927 0.86 PARP1 (0.47) MAPK1POLBATMPARP1DHODH
SCHEMBL2947453 0.82 PKN1 (0.46) MAPK1POLBATMMAPTLMNA
SCHEMBL378660 0.75 POLB (0.50) MAPK1POLBATMMAPTLMNA
SCHEMBL7046048 0.74 MAPK1 (0.46) MAPK1POLBATMMAPTLMNA
SCHEMBL1011867 0.74 MAPK1 (0.42) MAPK1POLBATMMAPTLMNA
SCHEMBL3282850 0.73 GRM2 (0.50) MAPK1POLBATMMAPTLMNA
SCHEMBL2113290 0.73 MAPK1 (0.48) MAPK1POLBATMMAPTLMNA
Water SCHEMBL3673310 0.73 POLB (0.48) MAPK1POLBATMMAPTLMNA
SCHEMBL2670682 0.73 POLB (0.48) MAPK1POLBATMMAPTLMNA

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 5 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
EP-0729471-A1 SEMISYNTHETIC ANALOGS OF RAPAMYCIN (MACROLIDES) BEING IMMUNOMODULATORS Abbott Laboratories (US) 1996-09-04 EP disclosed
US-5527907-A IMMUNOSUPPRESSANTS ABBOTT LABORATORIES (US) 1996-06-18 US disclosed
WO-1995014023-A1 SEMISYNTHETIC ANALOGS OF RAPAMYCIN (MACROLIDES) BEING IMMUNOMODULATORS ABBOTT LABORATORIES (US) 1995-05-26 WO disclosed