SCHEMBL968044

SCHEMBL968044

OC(O)COc1ccccc1-c1nc(-c2ccc(Br)cc2)nc(-c2ccccc2OCC(O)O)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
RAB9A P51151 2/20 0.42
RXFP1 Q9HBX9 2/20 0.42
TP53 P04637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP1B1 Q16678 2/20 0.40
DHPS P49366 2/20 0.40
MAOB P27338 2/20 0.37
PDE3A Q14432 1/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
MAPT P10636 1/20 0.36
ADRB2 P07550 2/20 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
SCHEMBL968329 0.86 MAOB (0.47) NPC1RAB9ADHPSMAOBLMNA
SCHEMBL8380964 0.78 DHPS (0.48) NPC1SMN1; SMN2RAB9ARXFP1TP53
SCHEMBL968043 0.71 DHPS (0.46) NPC1SMN1; SMN2RAB9ARXFP1TP53
SCHEMBL7258451 0.71 MAOB (0.50) SMN1; SMN2RAB9ATP53MAOBLMNA
SCHEMBL4580914 0.71 KDM4E (0.46) SMN1; SMN2MAOBLMNAGAAALOX15
SCHEMBL79499 0.71 ADRB2 (0.46) TP53MAOBLMNAGAAALOX15
SCHEMBL12754370 0.71 ADORA2A (0.62) NPC1SMN1; SMN2RAB9ATP53HSD17B10
SCHEMBL6054718 0.70 ADRB2 (0.43) TP53MAOBLMNAGAAALOX15
SCHEMBL4581724 0.70 MAPK1 (0.51) SMN1; SMN2RAB9ATP53DHPSMAOB
SCHEMBL6397184 0.70 ABCB1 (0.39) DHPSLMNAGAAMAPK1MAPT

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 8 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