SCHEMBL5593183

SCHEMBL5593183

COc1nc2ncnn2c(N2CCCCC2C)c1-c1cc(F)c(C)cc1F

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 15/20 0.37
EGLN2 Q96KS0 1/20 0.36
S1PR1 P21453 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
GLA P06280 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL5593567 0.97 PDE2A (0.39) PDE2AEGLN2
SCHEMBL5593454 0.91 PDE2A (0.38) PDE2AEGLN2S1PR1SMN1; SMN2KDM4E
SCHEMBL5593226 0.89 PDE2A (0.39) PDE2AEGLN2SMN1; SMN2ALDH1A1LMNA
SCHEMBL5593245 0.88 PDE2A (0.40) PDE2AEGLN2
SCHEMBL5593261 0.87 PDE2A (0.38) PDE2AEGLN2S1PR1GLATSHR
SCHEMBL5593488 0.85 PDE2A (0.41) PDE2AEGLN2ALDH1A1LMNAGLA
SCHEMBL5593162 0.85 SMN1; SMN2 (0.40) PDE2AEGLN2SMN1; SMN2KDM4EALDH1A1
SCHEMBL5593199 0.85 LMNA (0.40) PDE2AEGLN2SMN1; SMN2ALDH1A1LMNA
SCHEMBL5593080 0.84 EGLN2 (0.43) PDE2AEGLN2ALDH1A1
SCHEMBL5593283 0.84 PDE2A (0.40) PDE2AEGLN2

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