SCHEMBL28025855

SCHEMBL28025855

COc1cccc(C(C(N)=O)(c2cccc(OC)c2)c2cccc(OC)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 7/20 0.56
PARP1 P09874 1/20 0.56
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
HTR3A P46098 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
TAAR1 Q96RJ0 2/20 0.45
LMNA P02545 2/20 0.45
KIF11 P52732 1/20 0.44
SLC9A1 P19634 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL16892915 0.86 PARP1 (0.56) PARP1CES2CES1PRSS1PRSS2
SCHEMBL18231508 0.84 MAPT (0.56) PARP1CES2CES1PRSS1PRSS2
SCHEMBL4856143 0.80 PARP1 (0.50) PARP1CES2CES1PRSS1PRSS2
SCHEMBL9224544 0.79 PARP1 (0.53) PARP1CES2CES1PRSS1PRSS2
SCHEMBL20072129 0.79 PARP1 (0.49) PARP1CES2CES1PRSS1PRSS2
SCHEMBL7841877 0.79 ACHE (0.53) PARP1CES2CES1PRSS1PRSS2
SCHEMBL9654996 0.77 PARP1 (0.50) PARP1CES2CES1PRSS1PRSS2
SCHEMBL27639681 0.77 KIF11 (0.50) PARP1CES2CES1L3MBTL1LMNA
SCHEMBL15430216 0.76 PKM (0.58) PARP1CES2CES1HTR3EHTR3B
SCHEMBL8615954 0.76 PARP1 (0.49) PARP1CES2CES1PRSS1PRSS2

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-102869647-B As 5-HT6Sulfone compounds of receptor ligands SUVEN LIFE SCIENCES LTD 2015-06-24 CN disclosed