SCHEMBL17907186

SCHEMBL17907186

O=c1cc(N2CCOCC2)cc(-c2cccc3c2Oc2ccc(NCc4cncc(Br)c4)cc2S3)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 2/20 0.40
ATM Q13315 1/20 0.39
PRKDC P78527 1/20 0.36
MAPT P10636 4/20 0.35
KDM4E B2RXH2 2/20 0.35
ALOX12 P18054 2/20 0.35
HTT P42858 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PIK3CA P42336 3/20 0.34
PIK3CB P42338 3/20 0.34
HDAC4 P56524 1/20 0.33
MEF2D Q14814 1/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
GAA P10253 3/20 0.33

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
SCHEMBL17820610 0.92 PIK3C3 (0.41) PIK3C3ATMPRKDCMAPTKDM4E
SCHEMBL17906624 0.91 PIK3C3 (0.44) PIK3C3ATMPRKDCMAPTKDM4E
SCHEMBL17906698 0.90 PIK3C3 (0.39) PIK3C3ATMPRKDCMAPTKDM4E
SCHEMBL17907103 0.90 PIK3C3 (0.39) PIK3C3ATMPRKDCMAPTKDM4E
SCHEMBL17821069 0.90 ATM (0.47) PIK3C3ATMPRKDCMAPTKDM4E
SCHEMBL17906962 0.89 PIK3C3 (0.38) PIK3C3ATMPRKDCMAPTKDM4E
SCHEMBL17819708 0.89 CLK1 (0.41) PIK3C3ATMPRKDCMAPTKDM4E
SCHEMBL17906721 0.88 PIK3C3 (0.37) PIK3C3ATMPRKDCMAPTKDM4E
SCHEMBL17906821 0.87 PIK3C3 (0.40) PIK3C3ATMPRKDCMAPTKDM4E
SCHEMBL17906711 0.86 PIK3C3 (0.41) PIK3C3ATMPRKDCMAPTKDM4E

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