SCHEMBL27902865

SCHEMBL27902865

O=C(O)CC(=O)Nc1cnc(Cl)cn1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
TSHR P16473 3/20 0.41
RAB9A P51151 5/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 2/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SIRT6 Q8N6T7 1/20 0.39
NPC1 O15118 2/20 0.39
GLA P06280 1/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL14788895 0.86 TSHR (0.56) TDP1TSHRRAB9AL3MBTL1LMNA
SCHEMBL14638650 0.81 SIRT6 (0.44) TDP1TSHRRAB9AL3MBTL1HTT
SCHEMBL20353917 0.78 ABL1 (0.44) TDP1POLBHTTALDH1A1MEN1
SCHEMBL1504219 0.78 SIRT6 (0.41) RAB9AL3MBTL1SIRT6NPC1MAPT
SCHEMBL27886037 0.77 TDP1 (0.73) TDP1TSHRRAB9AL3MBTL1LMNA
SCHEMBL30007925 0.77 L3MBTL1 (0.61) RAB9AL3MBTL1LMNAPOLBNPC1
SCHEMBL15527734 0.76 L3MBTL1 (0.51) TDP1TSHRRAB9AL3MBTL1POLB
SCHEMBL23980124 0.76 PTK2 (0.59) TDP1RAB9AL3MBTL1LMNASIRT6
SCHEMBL28800406 0.72 SIRT6 (0.37) TDP1TSHRRAB9AL3MBTL1LMNA
SCHEMBL24843516 0.70 NPC1 (0.47) TDP1TSHRRAB9AL3MBTL1LMNA

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
CN-1826333-B Diamine derivatives DAIICHI SANKYO CO LTD 2012-12-26 CN disclosed