SCHEMBL4033674

SCHEMBL4033674

COC(c1ccc(N2CC3CCC2CC3)c(OC(F)(F)F)c1)C(NC(=O)c1ccc(Cl)s1)C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.35
F10 P00742 8/20 0.34
GLS O94925 2/20 0.31
HTRA1 Q92743 2/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
SLC6A9 P48067 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
SCHEMBL4479717 0.79 F10 (0.55) F10
SCHEMBL4033308 0.79 F10 (0.55) F10
SCHEMBL4030621 0.68 F10 (0.63) SMN1; SMN2F10
SCHEMBL4033672 0.68 F10 (0.63) SMN1; SMN2F10
SCHEMBL6180572 0.66 MCHR1 (0.43)
SCHEMBL13754450 0.58 SMN1; SMN2 (0.59) SMN1; SMN2LMNAMAPK1KMT2A
SCHEMBL3426918 0.57 F2 (0.53) SMN1; SMN2F10LMNAMAPK1KMT2A
SCHEMBL8156583 0.57 MIF (0.41) F10LMNA
SCHEMBL23111328 0.55 SMN1; SMN2 (0.41) SMN1; SMN2F10LMNAMAPK1KMT2A
SCHEMBL20600952 0.55 SMN1; SMN2 (0.59) SMN1; SMN2F10LMNAMAPK1KMT2A

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-1562939-B1 CARBOXAMIDES MERCK PATENT GMBH (DE) 2009-01-21 EP claimed