SCHEMBL6967041

SCHEMBL6967041

Cc1c(N([C]=O)Cc2cccc(C#N)c2)cnn1CC(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
GLA P06280 1/20 0.39
NR3C1 P04150 1/20 0.38
IDH1 O75874 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
MEP1A Q16819 1/20 0.36
MEP1B Q16820 1/20 0.36
CREBBP Q92793 1/20 0.35
PDE9A O76083 1/20 0.34
GRIN1 Q05586 2/20 0.33
GRIN2B Q13224 2/20 0.33
KMT2A Q03164 1/20 0.33
CYP19A1 P11511 2/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 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
SCHEMBL6967044 0.84 MAPT (0.45) ALDH1A1MAPTSLC6A2SLC6A4SLC6A3
SCHEMBL6964408 0.83 ALDH1A1 (0.43) ALDH1A1MAPTSLC6A2SLC6A4SLC6A3
SCHEMBL6972441 0.82 ALDH1A1 (0.43) ALDH1A1MAPTSLC6A2SLC6A4SLC6A3
SCHEMBL6968547 0.81 ALDH1A1 (0.42) ALDH1A1MAPTSLC6A2SLC6A4SLC6A3
SCHEMBL6973145 0.79 ALDH1A1 (0.40) ALDH1A1MAPTSLC6A2SLC6A4SLC6A3
SCHEMBL6973013 0.79 ALDH1A1 (0.40) ALDH1A1MAPTSLC6A2SLC6A4SLC6A3
SCHEMBL6969060 0.79 ALDH1A1 (0.40) ALDH1A1MAPTSLC6A2SLC6A4SLC6A3
SCHEMBL6971488 0.78 ADAMTS4 (0.39) ALDH1A1MAPTSLC6A2SLC6A4SLC6A3
SCHEMBL6960549 0.76 MAPT (0.38) ALDH1A1MAPTSLC6A2SLC6A4SLC6A3
SCHEMBL6955428 0.75 ALDH1A1 (0.47) ALDH1A1MAPTSLC6A2SLC6A4SLC6A3

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