SCHEMBL10272973

SCHEMBL10272973

Bc1cnc(NC(=O)N(C2CCCCC2)C2CCC(C(F)(F)F)CC2)s1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
RAB9A P51151 2/20 0.35
FFAR2 O15552 1/20 0.35
PI4KB Q9UBF8 1/20 0.34
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CDK5 Q00535 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
SCHEMBL2606337 0.89 SMN1; SMN2 (0.43) SMN1; SMN2RAB9ANPC1GAACCNE1
SCHEMBL999131 0.87 FPR2 (0.40) SMN1; SMN2FFAR2CCNE1CDK2CDK5
SCHEMBL2606472 0.85 SMN1; SMN2 (0.40) SMN1; SMN2RAB9ANPC1GAACCNE1
SCHEMBL2606372 0.84 SMN1; SMN2 (0.39) SMN1; SMN2RAB9ANPC1GAACCNE1
SCHEMBL2606370 0.84 SMN1; SMN2 (0.41) SMN1; SMN2RAB9ANPC1GAACCNE1
SCHEMBL2606356 0.83 S1PR3 (0.40) SMN1; SMN2RAB9ANPC1GAACCNE1
SCHEMBL1000481 0.81 CCNE2 (0.39) CCNE1CDK2CDK5
SCHEMBL13639766 0.81 CCNE1 (0.43) SMN1; SMN2RAB9ANPC1CCNE1CDK2
SCHEMBL2606368 0.80 ALDH1A1 (0.39) SMN1; SMN2RAB9AFFAR2NPC1GAA
SCHEMBL1000515 0.79 CCNE2 (0.39) CCNE1CDK2CDK5

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
EP-2444397-A1 Heteroaryl-ureas and their use as glucokinase activators Novo Nordisk A/S (DK) 2012-04-25 EP disclosed