SCHEMBL5593349

SCHEMBL5593349

COc1cc(F)c(-c2c(OC)nc3ncnn3c2N2CCCC(C)C2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 15/20 0.42
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GALR2 O43603 1/20 0.37
GALR1 P47211 1/20 0.37
GLA P06280 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PDE3A Q14432 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
SCHEMBL5593163 0.94 PDE2A (0.40) PDE2ALMNAPOLBHSD17B10GLA
SCHEMBL5593233 0.91 PDE2A (0.39) PDE2ALMNAPOLBHSD17B10GLA
SCHEMBL5593098 0.91 PDE2A (0.44) PDE2ALMNAPOLBHSD17B10GALR2
SCHEMBL5593324 0.90 PDE2A (0.42) PDE2ALMNAPOLBHSD17B10GALR2
SCHEMBL5593501 0.90 PDE2A (0.40) PDE2ALMNAPOLBHSD17B10GLA
SCHEMBL5593514 0.89 SMN1; SMN2 (0.40) PDE2ALMNAPOLBHSD17B10GALR2
SCHEMBL5593090 0.88 PDE2A (0.40) PDE2ALMNAPOLBHSD17B10GALR2
SCHEMBL5593377 0.85 EGLN2 (0.38) PDE2ALMNAPOLBHSD17B10GLA
SCHEMBL5593398 0.85 PDE2A (0.42) PDE2ALMNAPOLBHSD17B10GLA
SCHEMBL5593245 0.85 PDE2A (0.40) PDE2APDE3A

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