SCHEMBL8294533

SCHEMBL8294533

CCCC1C(=O)C(C)C(=O)C1C

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KAT2A Q92830 1/20 0.32
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL2692000 0.85
SCHEMBL8294591 0.81 KAT2A (0.32) KAT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL2692978 0.73 KAT2A (0.38) KAT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL2689426 0.70
SCHEMBL2690838 0.68 PRKCA (0.39) CYP1A2
SCHEMBL2688933 0.67
SCHEMBL127823 0.65 KAT2A (0.34) KAT2A
SCHEMBL13449685 0.65 KAT2A (0.34) KAT2A
SCHEMBL14981010 0.65 KAT2A (0.34) KAT2A
SCHEMBL2692031 0.65 ELANE (0.41) KAT2AMEN1CYP1A2CYP2C9CYP2C19

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
WO-2005013914-A2 HETEROARYLAMINOSULFONYLPHENYL DERIVATIVES FOR USE AS SODIUM OR CALCIUM CHANNEL BLOCKERS IN THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-02-17 WO disclosed