SCHEMBL14554387

SCHEMBL14554387

CN(CCNC(=O)OC(C)(C)C)c1ccc(F)cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.58
SKP1 P63208 1/20 0.58
SKP2 Q13309 1/20 0.58
SCN9A Q15858 1/20 0.41
TRPV1 Q8NER1 4/20 0.40
STK17B O94768 1/20 0.39
STK17A Q9UEE5 1/20 0.39
DGAT1 O75907 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA9 Q16790 3/20 0.39
HCAR3 P49019 1/20 0.39
SUV39H2 Q9H5I1 1/20 0.38
MALT1 Q9UDY8 1/20 0.38
BRD4 O60885 1/20 0.37
HDAC1 Q13547 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL14554636 0.86 CKS1B (0.59) CKS1BSKP1SKP2TRPV1STK17B
SCHEMBL14554500 0.86 CKS1B (0.56) CKS1BSKP1SKP2SCN9ATRPV1
SCHEMBL14554413 0.84 CKS1B (0.57) CKS1BSKP1SKP2TRPV1STK17B
SCHEMBL14554486 0.82 CKS1B (0.55) CKS1BSKP1SKP2TRPV1STK17B
SCHEMBL14485788 0.82 HCAR3 (0.47) CKS1BSKP1SKP2TRPV1DGAT1
SCHEMBL837529 0.80 CKS1B (0.64) CKS1BSKP1SKP2POLBCA12
SCHEMBL16282482 0.77 GRM2 (0.45) SCN9ASTK17BSTK17APOLBGAA
SCHEMBL14554331 0.76 CKS1B (0.48) CKS1BSKP1SKP2SCN9ATRPV1
SCHEMBL30069427 0.75 MAOA (0.46) SCN9ASTK17BSTK17APOLBGAA
SCHEMBL21744203 0.75 MAOA (0.46) SCN9ASTK17BSTK17APOLBGAA

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-2013006408-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-10 WO disclosed