SCHEMBL6972391

SCHEMBL6972391

CC(=O)N(Cc1cccc(C#N)c1)c1c(C)nn(CC(C)O)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEP1A Q16819 1/20 0.39
MEP1B Q16820 1/20 0.39
PDK1 Q15118 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
F11 P03951 1/20 0.37
IDH1 O75874 1/20 0.37
GLA P06280 1/20 0.37
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
KLKB1 P03952 2/20 0.35
KLK1 P06870 1/20 0.35
FOLH1 Q04609 1/20 0.35
MAOB P27338 1/20 0.34
NOTUM Q6P988 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
CCR5 P51681 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
SCHEMBL6970716 0.92 F11 (0.39) MEP1AMEP1BPDK1ALDH1A1MAPT
SCHEMBL6960685 0.83 MEP1A (0.38) MEP1AMEP1BPDK1ALDH1A1MAPT
SCHEMBL6967559 0.83 PDK1 (0.39) MEP1AMEP1BPDK1ALDH1A1MAPT
SCHEMBL6967001 0.83 BCL2A1 (0.42) MEP1AMEP1BPDK1ALDH1A1MAPT
SCHEMBL6965457 0.82 MEP1A (0.37) MEP1AMEP1BPDK1ALDH1A1MAPT
SCHEMBL6964459 0.81 IDH1 (0.37) MEP1AMEP1BPDK1ALDH1A1MAPT
SCHEMBL6970219 0.81 MEP1A (0.41) MEP1AMEP1BPDK1F11IDH1
SCHEMBL6966662 0.80 NPSR1 (0.44) MEP1AMEP1BPDK1ALDH1A1NOTUM
SCHEMBL6966005 0.78 MEP1A (0.39) MEP1AMEP1BPDK1F11IDH1
SCHEMBL6966010 0.78 MEP1A (0.39) MEP1AMEP1BPDK1F11IDH1

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