SCHEMBL7842884

SCHEMBL7842884

COC(=O)c1ncccc1O.COC(=O)c1ncccc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
TLR7 Q9NYK1 4/20 0.44
ACLY P53396 1/20 0.40
EGLN2 Q96KS0 1/20 0.40
FTO Q9C0B1 1/20 0.40
RORC P51449 1/20 0.39
KDM4E B2RXH2 2/20 0.39
RAB9A P51151 1/20 0.38
NFE2L2 Q16236 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL535696 0.95 L3MBTL1 (0.48) L3MBTL1TLR7ACLYRORCKDM4E
SCHEMBL7839731 0.82 SLC6A4 (0.43) L3MBTL1TLR7ACLYKDM4ETDP1
SCHEMBL3866652 0.81 BRD4 (0.49) KDM4ERAB9AALDH1A1
SCHEMBL108876 0.81 L3MBTL1 (0.62) L3MBTL1TLR7EGLN2FTOKDM4E
SCHEMBL7833009 0.80 L3MBTL1 (0.51) L3MBTL1TLR7EGLN2FTOKDM4E
SCHEMBL756477 0.80 L3MBTL1 (0.46) L3MBTL1TLR7ACLYRORCKDM4E
Hydrochloric Acid SCHEMBL6569637 0.79 L3MBTL1 (0.60) L3MBTL1TLR7EGLN2FTOKDM4E
SCHEMBL7833006 0.78 L3MBTL1 (0.55) L3MBTL1TLR7EGLN2FTOKDM4E
SCHEMBL31471005 0.76 L3MBTL1 (0.53) L3MBTL1TLR7NFE2L2
SCHEMBL3653582 0.75 L3MBTL1 (0.58) L3MBTL1KDM4ETDP1ALDH1A1

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-1162196-A1 FUSED-RING COMPOUNDS AND USE THEREOF AS DRUGS JAPAN TOBACCO INC. (JP) 2001-12-12 EP disclosed