SCHEMBL7019228

SCHEMBL7019228

COc1cccc(CNC(=O)Oc2ccc3cccnc3n2)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.48
ROCK1 Q13464 2/20 0.48
MAPT P10636 3/20 0.46
TP53 P04637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
MAOB P27338 1/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
PTBP1 P26599 1/20 0.43
HTT P42858 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
SCHEMBL7011724 0.90 MEN1 (0.51) KDM4EPOLBMEN1KMT2ANPC1
SCHEMBL7020859 0.84 MEN1 (0.57) ROCK2ROCK1MAPTTP53KDM4E
SCHEMBL7014974 0.82 MAPT (0.49) MAPTTP53KDM4EL3MBTL1POLB
SCHEMBL7020453 0.82 MTNR1A (0.53) MAPTPOLBMEN1KMT2ANPC1
SCHEMBL7020699 0.81 TAS1R3 (0.52) KDM4EPOLBMEN1KMT2ANPC1
SCHEMBL7014015 0.80 PTPN1 (0.47) MAPTTP53KDM4EL3MBTL1POLB
SCHEMBL7018848 0.79 LMNA (0.48) TP53KDM4EADORA2AADORA1MEN1
SCHEMBL7015908 0.79 MAPK8 (0.47) MAPTKDM4EADORA2AADORA1MEN1
SCHEMBL7017460 0.79 EPHX2 (0.48) ADORA2AADORA1
SCHEMBL7018465 0.78 EGLN1 (0.59) MAPTKDM4EMEN1KMT2ALMNA

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-1086106-B1 FUROPYRIDINE DERIVATIVES AND THEIR THERAPEUTICAL USE DARWIN DISCOVERY LTD (GB) 2003-08-20 EP claimed