SCHEMBL5593501

SCHEMBL5593501

COc1cc(F)c(-c2c(OC)nc3ncnn3c2N2CCC(C)CC2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 7/20 0.40
TSHR P16473 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GLA P06280 1/20 0.38
LMNA P02545 6/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.34
KDM4E B2RXH2 1/20 0.34
EGLN2 Q96KS0 1/20 0.34
HTT P42858 2/20 0.33
POLB P06746 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GRM8 O00222 1/20 0.33
GRM7 Q14831 1/20 0.33
GRM4 Q14833 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL5593163 0.95 PDE2A (0.40) PDE2ATSHRNPSR1GLALMNA
SCHEMBL5593364 0.90 LMNA (0.42) PDE2ATSHRNPSR1GLALMNA
SCHEMBL5593199 0.90 LMNA (0.40) PDE2ATSHRNPSR1GLALMNA
SCHEMBL5593349 0.90 PDE2A (0.42) PDE2ATSHRNPSR1GLALMNA
SCHEMBL5593288 0.89 PDE2A (0.39) PDE2ATSHRNPSR1GLALMNA
SCHEMBL5593514 0.89 SMN1; SMN2 (0.40) PDE2ATSHRLMNAALDH1A1CYP1A2
SCHEMBL5593357 0.87 KDM1A (0.41) PDE2ATSHRNPSR1GLALMNA
SCHEMBL5593245 0.85 PDE2A (0.40) PDE2ACYP1A2EGLN2
SCHEMBL5593377 0.85 EGLN2 (0.38) PDE2ATSHRNPSR1GLALMNA
SCHEMBL5593398 0.85 PDE2A (0.42) PDE2ATSHRNPSR1GLALMNA

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 disclosed