SCHEMBL968043

SCHEMBL968043

OCCOc1cccc(-c2nc(-c3ccc(Br)cc3)nc(-c3cccc(OCCO)c3O)n2)c1O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHPS P49366 6/20 0.46
CYP1B1 Q16678 2/20 0.42
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ALOX5AP P20292 2/20 0.38
FEN1 P39748 2/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
FABP4 P15090 3/20 0.37
FABP3 P05413 2/20 0.36
PDE5A O76074 1/20 0.36
CYP1A2 P05177 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL968327 0.86 DHPS (0.46) DHPSALOX5APFEN1FABP4FABP3
SCHEMBL8380964 0.85 DHPS (0.48) DHPSCYP1B1NPC1TP53RAB9A
SCHEMBL4581724 0.75 MAPK1 (0.51) DHPSTP53RAB9ASMN1; SMN2ALOX5AP
SCHEMBL6054722 0.74 PTPN11 (0.46) KDM4ELMNAPDE5AMEN1KMT2A
SCHEMBL8094936 0.74 MCHR1 (0.41) DHPSLMNAFABP4PDE5AMEN1
SCHEMBL29356875 0.74 MEN1 (0.47) DHPSCYP1B1NPC1TP53SMN1; SMN2
SCHEMBL580702 0.74 MEN1 (0.47) DHPSCYP1B1NPC1TP53SMN1; SMN2
SCHEMBL8918201 0.73 MAPK1 (0.46) DHPSTP53RAB9ASMN1; SMN2ALOX5AP
SCHEMBL4744929 0.73 TP53 (0.51) TP53RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL8652149 0.73 MEN1 (0.48) DHPSCYP1B1TP53KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7867294-B2 Triazine compounds for removing acids and water from nonaqueous electrolytes for electrochemical cells NOVOLYTE TECHNOLOGIES INC. (US) 2011-01-11 US claimed
US-20100192363-A1 Triazine Compounds For Removing Acids And Water From Nonaqueous Electrolytes For Electrochemical Cells FERRO CORPORATION (US) 2010-08-05 US claimed
US-7727669-B2 Triazine compounds for removing acids and water from nonaqueous electrolytes for electrochemical cells NOVOLYTE TECHNOLOGIES INC. (US) 2010-06-01 US claimed
US-20060269844-A1 Triazine compounds for removing acids and water from nonaqueous electrolytes for electrochemical cells FERRO CORPORATION (US) 2006-11-30 US claimed
US-7867294-B2 Triazine compounds for removing acids and water from nonaqueous electrolytes for electrochemical cells NOVOLYTE TECHNOLOGIES INC. (US) 2011-01-11 US disclosed
US-20100192363-A1 Triazine Compounds For Removing Acids And Water From Nonaqueous Electrolytes For Electrochemical Cells FERRO CORPORATION (US) 2010-08-05 US disclosed
US-7727669-B2 Triazine compounds for removing acids and water from nonaqueous electrolytes for electrochemical cells NOVOLYTE TECHNOLOGIES INC. (US) 2010-06-01 US disclosed
US-20060269844-A1 Triazine compounds for removing acids and water from nonaqueous electrolytes for electrochemical cells FERRO CORPORATION (US) 2006-11-30 US disclosed
US-6103798-A IMPROVE YELLOWNESS INDEX AND/OR MELT STABILITY OF THERMOPLASTIC RESIN GENERAL ELECTRIC COMPANY (US) 2000-08-15 US disclosed