SCHEMBL18138255

SCHEMBL18138255

O=C(NCOCCO)OCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
HTT P42858 1/20 0.55
ALDH1A1 P00352 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MAPT P10636 1/20 0.50
TGM2 P21980 1/20 0.49
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
KEAP1 Q14145 2/20 0.48
NFE2L2 Q16236 2/20 0.48
PLAU P00749 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL1699791 0.88 SMN1; SMN2 (0.88) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL21069701 0.86 SMN1; SMN2 (0.85) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL21071132 0.86 SMN1; SMN2 (0.85) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL6759604 0.86 SMN1; SMN2 (0.85) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL21069619 0.86 SMN1; SMN2 (0.85) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL15745846 0.86 SMN1; SMN2 (0.65) LMNASMN1; SMN2HTTALDH1A1L3MBTL1
SCHEMBL15745845 0.84 SMN1; SMN2 (0.62) LMNASMN1; SMN2HTTALDH1A1L3MBTL1
SCHEMBL5529923 0.82 LMNA (0.68) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL375858 0.81 LMNA (0.73) LMNASMN1; SMN2HTTALDH1A1L3MBTL1
SCHEMBL250620 0.81 LMNA (0.67) LMNASMN1; SMN2HTTALDH1A1L3MBTL1

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
WO-2016162325-A1 SUBSTITUTED 3,4-DIHYDROPYRROLO[1,2-A]PYRAZIN-1 (2H)-ONE DERIVATIVES AS KINASE INHIBITORS ASTRAZENECA AB (SE) 2016-10-13 WO disclosed