SCHEMBL1850641

SCHEMBL1850641

CCC(C(N)=O)c1cnc(C)cn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.34
LMNA P02545 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
KDM4E B2RXH2 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
ALDH1A1 P00352 1/20 0.32
BLM P54132 1/20 0.32

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
SCHEMBL1848791 0.84 CA1 (0.39) POLBCA1CA2KDM4EMAPT
SCHEMBL1852826 0.78 ADRA2A (0.39) KDM4ENPC1RAB9AALDH1A1TDP1
SCHEMBL1847827 0.77 NPC1 (0.36) POLBLMNAL3MBTL1KDM4ENPC1
SCHEMBL2436013 0.76 GAA (0.43) POLBLMNAKDM4ENPC1RAB9A
SCHEMBL2437157 0.75 ADRA2A (0.39) KDM4EMAPTSMN1; SMN2KCNH2ATM
SCHEMBL27902043 0.74 MEN1 (0.34) POLBL3MBTL1ALDH1A1
SCHEMBL4782064 0.73 APLNR (0.47) TDP1
SCHEMBL2434418 0.72 EPHX1 (0.32) POLBL3MBTL1ALDH1A1MAPTHTT
SCHEMBL2434546 0.71 EPHX1 (0.33) LMNACA12CA1CA2CA3
SCHEMBL14307889 0.71 ESR1 (0.37) POLB

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-2324028-A2 THERAPEUTIC AGENTS 414 AstraZeneca AB (SE) 2011-05-25 EP disclosed