SCHEMBL2736633

SCHEMBL2736633

CCOC(=O)c1ccc(-n2cc(N)c3ccc(OCCOc4ccccc4)cc32)cc1OCOC

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
KMT2A Q03164 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL10208272 0.94 POLB (0.39)
SCHEMBL2736994 0.92 POLB (0.38)
SCHEMBL2736960 0.92 GABRA1 (0.41)
SCHEMBL10207266 0.91 POLB (0.37)
SCHEMBL10207829 0.91 ALDH1A1 (0.42) KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL2736782 0.88 HPGD (0.42) MEN1HPGDKMT2A
SCHEMBL2737063 0.88 PIM1 (0.47) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL12309565 0.87
SCHEMBL10207673 0.87 PSEN1 (0.38) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL12336365 0.87 L3MBTL1 (0.47) L3MBTL1

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-2402314-A1 (Aza)indole derivative and use thereof for medical purposes Kissei Pharmaceutical Co., Ltd. (JP) 2012-01-04 EP disclosed