SCHEMBL1819611

SCHEMBL1819611

CCCCNc1ccccc(-c2c(C(C)C)cccc2C(C)C)c1=N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
APAF1 O14727 1/20 0.40
KMT2A Q03164 6/20 0.36
MEN1 O00255 5/20 0.36
L3MBTL1 Q9Y468 4/20 0.36
HTT P42858 4/20 0.36
MAPK1 P28482 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
USP2 O75604 2/20 0.36
ATM Q13315 2/20 0.36
TLR9 Q9NR96 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
LMNA P02545 2/20 0.36
RECQL P46063 2/20 0.36
KEAP1 Q14145 1/20 0.36
PLEC Q15149 1/20 0.36
NFE2L2 Q16236 1/20 0.36
POLB P06746 3/20 0.36
MAPT P10636 3/20 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
SCHEMBL19366237 0.79 L3MBTL1 (0.49) ALDH1A1APAF1L3MBTL1HTTNPSR1
SCHEMBL10408681 0.73 L3MBTL1 (0.46) L3MBTL1NPSR1SMN1; SMN2LMNASOAT1
SCHEMBL10408702 0.73 L3MBTL1 (0.46) L3MBTL1NPSR1SMN1; SMN2LMNASOAT1
SCHEMBL28016716 0.71 SOAT1 (0.51) SMN1; SMN2SOAT1
SCHEMBL9971709 0.70 TLR8 (0.35) ALDH1A1APAF1L3MBTL1TLR8SOAT1
SCHEMBL2241352 0.70 TLR8 (0.35) ALDH1A1APAF1L3MBTL1TLR8SOAT1
SCHEMBL309485 0.70 TLR8 (0.53) ALDH1A1APAF1L3MBTL1HTTNPSR1
SCHEMBL6291460 0.70 MEN1 (0.64) ALDH1A1APAF1KMT2AMEN1L3MBTL1
SCHEMBL17921774 0.69 L3MBTL1 (0.52) KMT2AL3MBTL1HTTLMNAPOLB
SCHEMBL10330191 0.69 MEN1 (0.40) ALDH1A1APAF1KMT2AMEN1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2315788-A2 METAL-LIGAND COMPLEXES AND CATALYSTS Dow Global Technologies LLC (US) 2011-05-04 EP disclosed
WO-2010022228-A2 METAL-LIGAND COMPLEXES AND CATALYSTS DOW GLOBAL TECHNOLOGIES, INC. (US) 2010-02-25 WO disclosed