SCHEMBL19005459

SCHEMBL19005459

CC(O)C(C)Nc1cccc(NC(C)C(C)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 4/20 0.36
MAPT P10636 2/20 0.36
AR P10275 1/20 0.36
CA14 Q9ULX7 3/20 0.35
MMP2 P08253 2/20 0.35
CA9 Q16790 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
HSD17B10 Q99714 4/20 0.34
CYP3A4 P08684 3/20 0.34
ALOX15 P16050 3/20 0.34
ALOX12 P18054 3/20 0.34
TSHR P16473 3/20 0.34
LMNA P02545 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
THRB P10828 1/20 0.34
RECQL P46063 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
SCHEMBL24235222 0.86 HPGD (0.49) MEN1KMT2ATDP1ALDH1A1MAPT
SCHEMBL19005461 0.86 MEN1 (0.35) MEN1KMT2ATDP1
SCHEMBL19005460 0.84 MEN1 (0.41) MEN1KMT2AALDH1A1MAPTHSD17B10
SCHEMBL28172850 0.84 TDP1 (0.58) MEN1KMT2ATDP1ALDH1A1MAPT
SCHEMBL14515472 0.84 TDP1 (0.58) MEN1KMT2ATDP1ALDH1A1MAPT
SCHEMBL9313156 0.75 TDP1 (0.67) MEN1KMT2ATDP1ALDH1A1MAPT
SCHEMBL1004460 0.74 MAPT (0.50) MEN1KMT2AALDH1A1MAPTHSD17B10
SCHEMBL2371986 0.74 ALDH1A1 (0.51) MEN1KMT2AALDH1A1MAPTCA14
SCHEMBL23593960 0.72 MEN1 (0.37) MEN1KMT2ATDP1ALDH1A1CA14
SCHEMBL11676292 0.72 ALDH1A1 (0.58) MEN1KMT2AALDH1A1MAPTHSD17B10

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
US-20170174537-A1 SELECTIVELY PERMEABLE GRAPHENE OXIDE MEMBRANE NITTO DENKO CORPORATION (JP) 2017-06-22 US disclosed