SCHEMBL7705343

SCHEMBL7705343

OCCCCCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 14/20 0.46
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
ENPP2 Q13822 1/20 0.34
TBXAS1 P24557 2/20 0.34
FLT3 P36888 1/20 0.34
TYRO3 Q06418 1/20 0.34
MERTK Q12866 1/20 0.34
GAS6 Q14393 1/20 0.34
NMBR P28336 1/20 0.33

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
SCHEMBL4682888 0.99 SIRT2 (0.46) SIRT2CYP11B1CYP11B2ENPP2FLT3
SCHEMBL2032778 0.94 SIRT2 (0.47) SIRT2CYP11B1CYP11B2ENPP2NMBR
Lithium Ion SCHEMBL18991219 0.90 SIRT2 (0.45) SIRT2CYP11B1CYP11B2ENPP2NMBR
SCHEMBL1041048 0.88 SIRT2 (0.49) SIRT2CYP11B1CYP11B2ENPP2FLT3
SCHEMBL8165853 0.85 SIRT2 (0.47) SIRT2CYP11B1CYP11B2ENPP2TBXAS1
SCHEMBL25310574 0.85 MAPT (0.45) SIRT2TBXAS1
SCHEMBL25389258 0.85 MAPT (0.45) SIRT2TBXAS1
SCHEMBL25389429 0.85 MAPT (0.45) SIRT2TBXAS1
SCHEMBL25390529 0.85 MAPT (0.45) SIRT2TBXAS1
SCHEMBL6959210 0.84 SIRT2 (0.46) SIRT2CYP11B1CYP11B2ENPP2

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
US-6355665-B1 ANTIHISTAMINES, ANTIALLERGENS AND IRRITABLE BOWEL SYNDROME. JAMES BLACK FOUNDATION LIMITED (GB) 2002-03-12 US disclosed