SCHEMBL17907119

SCHEMBL17907119

Cc1ccc(CNc2ccc3c(c2)Sc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2O3)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 5/20 0.40
ATM Q13315 2/20 0.40
CSNK1D P48730 2/20 0.39
PRKDC P78527 1/20 0.36
GAA P10253 4/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
ALOX15 P16050 2/20 0.35
ALOX12 P18054 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
PIK3CA P42336 3/20 0.33
PIK3CB P42338 3/20 0.33
PIK3CD O00329 2/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 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
SCHEMBL17906781 0.90 PIK3C3 (0.40) PIK3C3ATMPRKDCGAANPC1
SCHEMBL17820758 0.89 PIK3C3 (0.44) PIK3C3ATMCSNK1DPRKDCGAA
SCHEMBL17906907 0.89 PIK3C3 (0.39) PIK3C3ATMPRKDCGAANPC1
SCHEMBL17907087 0.88 PIK3C3 (0.41) PIK3C3ATMCSNK1DPRKDCGAA
SCHEMBL17820997 0.87 ATM (0.48) PIK3C3ATMCSNK1DPRKDCGAA
SCHEMBL17906711 0.86 PIK3C3 (0.41) PIK3C3ATMPRKDCGAANPC1
SCHEMBL17820436 0.86 PIK3C3 (0.42) PIK3C3ATMCSNK1DGAANPC1
SCHEMBL17907083 0.86 PIK3C3 (0.44) PIK3C3ATMPRKDCMAPTALOX12
SCHEMBL17907116 0.85 PIK3C3 (0.45) PIK3C3ATMPRKDCGAAALDH1A1
SCHEMBL17819419 0.85 PIK3C3 (0.40) PIK3C3ATMPRKDCGAANPC1

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