SCHEMBL6968547

SCHEMBL6968547

Cc1c(N(Cc2cccc(C#N)c2)C(=O)CN)cnn1CC(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
MEP1A Q16819 1/20 0.38
MEP1B Q16820 1/20 0.38
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
KLKB1 P03952 2/20 0.36
KLK1 P06870 1/20 0.36
IDH1 O75874 1/20 0.36
NR3C1 P04150 1/20 0.36
GLA P06280 1/20 0.35
CCR5 P51681 4/20 0.35
PDK1 Q15118 1/20 0.35
AOC3 Q16853 1/20 0.34
MAOB P27338 1/20 0.33
ALKBH1 Q13686 1/20 0.33
VNN1 O95497 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
SCHEMBL6972441 0.91 ALDH1A1 (0.43) ALDH1A1MAPTMEP1AMEP1BSLC6A2
SCHEMBL6964408 0.90 ALDH1A1 (0.43) ALDH1A1MAPTMEP1AMEP1BSLC6A2
SCHEMBL6973013 0.90 ALDH1A1 (0.40) ALDH1A1MAPTMEP1AMEP1BSLC6A2
SCHEMBL6969060 0.88 ALDH1A1 (0.40) ALDH1A1MAPTMEP1AMEP1BSLC6A2
SCHEMBL6973145 0.88 ALDH1A1 (0.40) ALDH1A1MAPTMEP1AMEP1BSLC6A2
SCHEMBL6960549 0.85 MAPT (0.38) ALDH1A1MAPTMEP1AMEP1BSLC6A2
SCHEMBL6971488 0.83 ADAMTS4 (0.39) ALDH1A1MAPTMEP1AMEP1BSLC6A2
SCHEMBL6967041 0.81 ALDH1A1 (0.45) ALDH1A1MAPTMEP1AMEP1BSLC6A2
SCHEMBL6967065 0.81 ALDH1A1 (0.36) ALDH1A1MAPTMEP1AMEP1BSLC6A2
SCHEMBL6967072 0.81 ALDH1A1 (0.36) ALDH1A1MAPTMEP1AMEP1BSLC6A2

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