SCHEMBL5593377

SCHEMBL5593377

COc1nc2ncnn2c(N2CCC(C)C2)c1-c1cc(F)c(C)cc1F

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 1/20 0.38
GLA P06280 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PDE2A O00408 11/20 0.36
LMNA P02545 6/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
MAPK1 P28482 1/20 0.34
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
POLB P06746 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL5593199 0.95 LMNA (0.40) EGLN2GLATSHRNPSR1PDE2A
SCHEMBL5593233 0.94 PDE2A (0.39) GLATSHRNPSR1PDE2ALMNA
SCHEMBL5593163 0.91 PDE2A (0.40) EGLN2GLATSHRNPSR1PDE2A
SCHEMBL5593201 0.88 EGLN2 (0.41) EGLN2GLATSHRNPSR1PDE2A
SCHEMBL5593438 0.87 EGLN2 (0.39) EGLN2GLATSHRNPSR1PDE2A
SCHEMBL5593162 0.86 SMN1; SMN2 (0.40) EGLN2TSHRNPSR1PDE2ALMNA
SCHEMBL5593501 0.85 PDE2A (0.40) EGLN2GLATSHRNPSR1PDE2A
SCHEMBL5593349 0.85 PDE2A (0.42) GLATSHRNPSR1PDE2ALMNA
SCHEMBL5593085 0.84 EGLN2 (0.46) EGLN2GLATSHRNPSR1PDE2A
SCHEMBL5593344 0.83 LMNA (0.44) EGLN2GLATSHRNPSR1PDE2A

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 2 patents. 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
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 disclosed