SCHEMBL17907177

SCHEMBL17907177

COc1cc(CNc2ccc3c(c2)Sc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2O3)ccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 3/20 0.43
ATM Q13315 3/20 0.43
RAB9A P51151 2/20 0.36
MAPT P10636 4/20 0.36
KDM4E B2RXH2 2/20 0.36
ALOX12 P18054 1/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PRKDC P78527 1/20 0.35
GAA P10253 5/20 0.35
MAPK1 P28482 3/20 0.35
ALDH1A1 P00352 2/20 0.35
ALOX15 P16050 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
FGFR1 P11362 1/20 0.34
KDR P35968 1/20 0.34
EPHB4 P54760 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL17906821 0.91 PIK3C3 (0.40) PIK3C3ATMMAPTKDM4EALOX12
SCHEMBL17907109 0.90 PIK3C3 (0.43) PIK3C3ATMRAB9AMAPTKDM4E
SCHEMBL17907030 0.90 PIK3C3 (0.44) PIK3C3ATMMAPTKDM4EALOX12
SCHEMBL17906849 0.88 ATM (0.51) PIK3C3ATMRAB9AMAPTKDM4E
SCHEMBL17819887 0.87 ATM (0.46) PIK3C3ATMRAB9AMAPTKDM4E
SCHEMBL17906781 0.87 PIK3C3 (0.40) PIK3C3ATMRAB9AMAPTKDM4E
SCHEMBL17907051 0.86 PIK3C3 (0.42) PIK3C3ATMRAB9AMAPTKDM4E
SCHEMBL17821069 0.86 ATM (0.47) PIK3C3ATMRAB9AMAPTKDM4E
SCHEMBL17819523 0.86 PIK3C3 (0.45) PIK3C3ATMMAPTKDM4EALOX12
SCHEMBL17906982 0.86 PIK3C3 (0.40) PIK3C3ATMRAB9AMAPTKDM4E

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-3042900-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF Fujifilm Corporation (JP) 2016-07-13 EP disclosed