SCHEMBL5773058

SCHEMBL5773058

CN1CCN(c2nccc(-c3[nH]c(C4(C(N)=O)OCC(C)(C(=O)OCC#N)CO4)nc3-c3ccc(F)cc3)n2)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.40
MAPK13 O15264 7/20 0.40
MAPK12 P53778 7/20 0.40
MAPK11 Q15759 7/20 0.40
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
GLA P06280 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
CYP2C19 P33261 1/20 0.33
CASP7 P55210 1/20 0.33
HIF1A Q16665 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
SCHEMBL5770635 0.95 MAPK14 (0.36) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5767898 0.94 MAPK14 (0.35) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5769793 0.93 ALDH1A1 (0.37) MAPK14MAPK13MAPK12MAPK11USP2
SCHEMBL5768583 0.89 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11USP2
SCHEMBL5770214 0.88 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5769579 0.88 MAPK13 (0.41) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5770975 0.86 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11CYP1A2
SCHEMBL5770571 0.86 MAPK14 (0.39) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5773285 0.86 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5771199 0.86 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0988301-B1 IMIDAZOLYL-CYCLIC ACETALS AVENTIS PHARMA LTD (GB) 2006-08-09 EP disclosed
US-6989395-B2 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2006-01-24 US disclosed
US-6602877-B1 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2003-08-05 US disclosed
EP-0988301-A1 IMIDAZOLYL-CYCLIC ACETALS RHONE-POULENC RORER LIMITED (GB) 2000-03-29 EP disclosed
WO-1998056788-A1 IMIDAZOLYL-CYCLIC ACETALS RHONE-POULENC RORER LIMITED (GB) 1998-12-17 WO disclosed