SCHEMBL27977286

SCHEMBL27977286

COc1cc(OC)c(C2=CCN(C)CC2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
QDPR P09417 3/20 0.55
SLC6A4 P31645 3/20 0.49
TGFBR1 P36897 1/20 0.48
ACVR1 Q04771 1/20 0.48
EHMT2 Q96KQ7 2/20 0.47
EHMT1 Q9H9B1 2/20 0.47
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
TLR9 Q9NR96 1/20 0.44
TLR8 Q9NR97 1/20 0.44
TLR7 Q9NYK1 1/20 0.44

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
SCHEMBL5536929 0.81 SLC6A4 (0.61) QDPRSLC6A4TGFBR1ACVR1EHMT2
SCHEMBL30108183 0.81 QDPR (0.50) QDPRSLC6A4TGFBR1ACVR1EHMT2
SCHEMBL7033282 0.80 QDPR (0.56) QDPRSLC6A4TGFBR1ACVR1EHMT2
Hydrochloric Acid SCHEMBL7030177 0.80 QDPR (0.56) QDPRSLC6A4TGFBR1ACVR1EHMT2
SCHEMBL28512145 0.80 SLC6A4 (0.55) QDPRSLC6A4TGFBR1ACVR1EHMT2
SCHEMBL28848491 0.80 QDPR (0.46) QDPRSLC6A4TGFBR1ACVR1EHMT2
SCHEMBL30292493 0.79 QDPR (0.48) QDPRSLC6A4TGFBR1ACVR1EHMT2
SCHEMBL5547709 0.79 QDPR (0.54) QDPRSLC6A4TGFBR1ACVR1
SCHEMBL20934696 0.78 TGFBR1 (0.47) QDPRSLC6A4TGFBR1ACVR1EHMT2
SCHEMBL298857 0.75 QDPR (0.54) QDPRSLC6A4TGFBR1ACVR1TLR9

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-102458398-B Pyrrolidine-substituted flavones as radio-sensitizers for use in the treatment of cancer PIRAMAL LIFE SCIENCES LTD 2014-07-16 CN disclosed