SCHEMBL6962908

SCHEMBL6962908

Cc1nn(CC(C)(C)O[Si](C)(C)C)c(C)c1N(Cc1cccc(C#N)c1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEP1A Q16819 1/20 0.36
MEP1B Q16820 1/20 0.36
PDK1 Q15118 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
FOLH1 Q04609 1/20 0.34
NR3C1 P04150 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
USP2 O75604 1/20 0.34
SLC16A3 O15427 1/20 0.34
SLC16A1 P53985 1/20 0.34
MCTS1 Q9ULC4 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 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
SCHEMBL6968946 0.88 MEP1A (0.39) MEP1AMEP1BPDK1CHRM2CHRM1
SCHEMBL6970219 0.83 MEP1A (0.41) MEP1AMEP1BPDK1CHRM2CHRM1
SCHEMBL6966005 0.81 MEP1A (0.39) MEP1AMEP1BPDK1CHRM2CHRM1
SCHEMBL6966010 0.81 MEP1A (0.39) MEP1AMEP1BPDK1CHRM2CHRM1
SCHEMBL6970716 0.81 F11 (0.39) MEP1AMEP1BPDK1CHRM2CHRM1
SCHEMBL6965457 0.80 MEP1A (0.37) MEP1AMEP1BPDK1CHRM2CHRM1
SCHEMBL6960685 0.80 MEP1A (0.38) MEP1AMEP1BPDK1CHRM2CHRM1
SCHEMBL6967559 0.80 PDK1 (0.39) MEP1AMEP1BPDK1MEN1KMT2A
SCHEMBL6959626 0.78 OPRM1 (0.41) MEP1AMEP1BPDK1CHRM2CHRM1
SCHEMBL6965184 0.73 MAPT (0.40) MEP1AMEP1BPDK1MEN1KMT2A

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-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed