SCHEMBL5605579

SCHEMBL5605579

CCCCNc1ccccc1Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.62
HTT P42858 3/20 0.62
DRD3 P35462 1/20 0.55
L3MBTL1 Q9Y468 3/20 0.47
TLR8 Q9NR97 4/20 0.46
HRH1 P35367 1/20 0.44
PKM P14618 1/20 0.43
TP53 P04637 2/20 0.43
TSHR P16473 2/20 0.43
POLB P06746 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
TLR7 Q9NYK1 2/20 0.42
CASP6 P55212 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL5793018 0.93 LMNA (0.56) LMNAHTTDRD3L3MBTL1TLR8
SCHEMBL5789625 0.83 HTT (0.46) LMNAHTTDRD3L3MBTL1TLR8
SCHEMBL6027445 0.82 POLB (0.49) LMNAHTTL3MBTL1TLR8TSHR
SCHEMBL3966040 0.82 POLB (0.60) LMNAHTTL3MBTL1TLR8TSHR
SCHEMBL2870268 0.82 L3MBTL1 (0.53) LMNAHTTDRD3L3MBTL1HRH1
SCHEMBL10408180 0.80 POLB (0.46) LMNAHTTL3MBTL1TLR8POLB
SCHEMBL309485 0.79 TLR8 (0.53) HTTL3MBTL1TLR8TSHRPOLB
SCHEMBL25366175 0.79 TLR8 (0.47) LMNAHTTL3MBTL1TLR8TSHR
SCHEMBL21953593 0.77 POLB (0.76) LMNAHTTL3MBTL1PKMPOLB
SCHEMBL4730302 0.77 PTGS2 (0.51) HTTTSHRPOLBCYP2C9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018149844-A1 POLYOXAZOLIDONES AND PRODUCTION THEREOF BASF SE (DE) 2018-08-23 WO disclosed
EP-1824575-A1 PURIFICATION OF IONIC LIQUIDS BASF AKTIENGESELLSCHAFT (DE) 2007-08-29 EP disclosed
WO-2006061188-A1 PURIFICATION OF IONIC LIQUIDS BASF AKTIENGESELLSCHAFT (DE) 2006-06-15 WO disclosed