SCHEMBL6970716

SCHEMBL6970716

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 1/20 0.39
MEP1A Q16819 1/20 0.39
MEP1B Q16820 1/20 0.39
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
PDK1 Q15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
KMT2A Q03164 1/20 0.37
IDH1 O75874 1/20 0.37
FOLH1 Q04609 1/20 0.37
GLA P06280 1/20 0.37
NR3C1 P04150 1/20 0.37
PTGES O14684 1/20 0.36
MAOB P27338 1/20 0.36
KLKB1 P03952 1/20 0.35
KLK1 P06870 1/20 0.35

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
SCHEMBL6972391 0.92 MEP1A (0.39) F11MEP1AMEP1BSLC6A2SLC6A4
SCHEMBL6960685 0.91 MEP1A (0.38) F11MEP1AMEP1BSLC6A2SLC6A4
SCHEMBL6967559 0.91 PDK1 (0.39) F11MEP1AMEP1BSLC6A2SLC6A4
SCHEMBL6965457 0.90 MEP1A (0.37) F11MEP1AMEP1BSLC6A2SLC6A4
SCHEMBL6970219 0.87 MEP1A (0.41) F11MEP1AMEP1BSLC6A2SLC6A4
SCHEMBL6966010 0.84 MEP1A (0.39) F11MEP1AMEP1BSLC6A2SLC6A4
SCHEMBL6966005 0.84 MEP1A (0.39) F11MEP1AMEP1BSLC6A2SLC6A4
SCHEMBL6968946 0.84 MEP1A (0.39) F11MEP1AMEP1BSLC6A2SLC6A4
SCHEMBL6959626 0.82 OPRM1 (0.41) MEP1AMEP1BSLC6A2SLC6A4SLC6A3
SCHEMBL6962908 0.81 MEP1A (0.36) F11MEP1AMEP1BSLC6A2SLC6A4

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