SCHEMBL6992536

SCHEMBL6992536

COc1cc(F)c(-c2c(OC)nc3ncnn3c2[C@H]2CCC[C@@H](F)C2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 18/20 0.41
SMN1; SMN2 Q16637 2/20 0.34
MAPK1 P28482 1/20 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

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
SCHEMBL6992539 1.00 PDE2A (0.41) PDE2ASMN1; SMN2MAPK1KDM4EALDH1A1
SCHEMBL6992543 1.00 PDE2A (0.41) PDE2ASMN1; SMN2MAPK1KDM4EALDH1A1
SCHEMBL4811279 0.91 PDE2A (0.44) PDE2ASMN1; SMN2MAPK1KDM4EALDH1A1
SCHEMBL6989522 0.90 PDE2A (0.40) PDE2A
SCHEMBL6989520 0.90 PDE2A (0.40) PDE2A
SCHEMBL6989516 0.90 PDE2A (0.40) PDE2A
SCHEMBL4813005 0.90 PDE2A (0.44) PDE2ASMN1; SMN2MAPK1KDM4EALDH1A1
SCHEMBL6993982 0.89 PDE2A (0.39) PDE2ASMN1; SMN2MAPK1KDM4EALDH1A1
SCHEMBL7001331 0.89 PDE2A (0.39) PDE2ASMN1; SMN2MAPK1KDM4EALDH1A1
SCHEMBL6993988 0.89 PDE2A (0.39) PDE2ASMN1; SMN2MAPK1KDM4EALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1054888-B1 FUNGICIDAL 7-ALKYL-TRIAZOLOPYRIMIDINES BASF AG (DE) 2003-11-26 EP claimed
US-6020338-A Fungicidal 7-alkyl-triazolopyrimidines AMERICAN CYANAMID COMPANY (US) 2000-02-01 US claimed
EP-1054888-B1 FUNGICIDAL 7-ALKYL-TRIAZOLOPYRIMIDINES BASF AG (DE) 2003-11-26 EP disclosed
EP-1359150-A2 A process and intermediates for the preparation of fungicidal 7-alkyl-triazolopyrimidines BASF AKTIENGESELLSCHAFT (DE) 2003-11-05 EP disclosed
US-6020338-A Fungicidal 7-alkyl-triazolopyrimidines AMERICAN CYANAMID COMPANY (US) 2000-02-01 US disclosed