SCHEMBL17277702

SCHEMBL17277702

CCCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1ccc2cc(Br)ccc2c1N

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 8/20 0.48
LMNA P02545 6/20 0.36
RXFP1 Q9HBX9 3/20 0.36
NCEH1 Q6PIU2 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MAPT P10636 1/20 0.34
SOS1 Q07889 1/20 0.33
MAPK1 P28482 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
SCHEMBL18731484 0.77 AAK1 (0.47) AAK1LMNARXFP1NCEH1SMN1; SMN2
SCHEMBL13560993 0.73 AAK1 (0.40) AAK1LMNARXFP1NCEH1MAPK1
SCHEMBL12294841 0.73 AAK1 (0.40) AAK1LMNARXFP1NCEH1MAPK1
SCHEMBL19488525 0.71 CYP26A1 (0.40) AAK1LMNAMAPK1
SCHEMBL19488870 0.70 CASR (0.44) LMNASMN1; SMN2L3MBTL1MAPTMAPK1
SCHEMBL12299034 0.69 ALDH1A1 (0.50) RXFP1NCEH1MAPT
SCHEMBL12327655 0.69 LMNA (0.57) LMNASMN1; SMN2L3MBTL1
SCHEMBL19488521 0.69 ALDH1A1 (0.40) SMN1; SMN2MAPT
SCHEMBL15043000 0.69 NCEH1 (0.49) LMNARXFP1NCEH1SMN1; SMN2L3MBTL1
SCHEMBL19488517 0.68 ALDH1A1 (0.41) SMN1; SMN2MAPK1

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-2545060-B1 FUSED TRICYCLIC SILYL COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME (US) 2015-11-25 EP disclosed