SCHEMBL5593233

SCHEMBL5593233

COc1nc2ncnn2c(N2CCCC(C)C2)c1-c1cc(F)c(C)cc1F

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 14/20 0.39
LMNA P02545 4/20 0.38
POLB P06746 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 2/20 0.37
GLA P06280 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL5593377 0.94 EGLN2 (0.38) PDE2ALMNAPOLBHSD17B10ALDH1A1
SCHEMBL5593349 0.91 PDE2A (0.42) PDE2ALMNAPOLBHSD17B10ALDH1A1
SCHEMBL5593199 0.90 LMNA (0.40) PDE2ALMNAALDH1A1GLATSHR
SCHEMBL5593160 0.89 LMNA (0.43) PDE2ALMNAALDH1A1GLATSHR
SCHEMBL5593162 0.89 SMN1; SMN2 (0.40) PDE2ALMNAPOLBHSD17B10ALDH1A1
SCHEMBL5593136 0.87 PDE2A (0.39) PDE2ALMNAGLATSHRNPSR1
SCHEMBL5593163 0.85 PDE2A (0.40) PDE2ALMNAPOLBHSD17B10ALDH1A1
SCHEMBL5593567 0.85 PDE2A (0.39) PDE2A
SCHEMBL5593381 0.85 EGLN2 (0.41) PDE2ALMNAHSD17B10ALDH1A1GLA
SCHEMBL5593098 0.84 PDE2A (0.44) PDE2ALMNAPOLBHSD17B10ALDH1A1

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
WO-2007099092-A1 SUBSTITUTED 6-PHENYL-7-AMINO[1,2,4]-TRIAZOLO[1,5-a]PYRIMIDINES AND THEIR USE FOR CONTROLLING PATHOGENIC FUNGI BASF SE (DE) 2007-09-07 WO claimed