SCHEMBL6186524

SCHEMBL6186524

COc1cc(F)c(-c2c(Cl)nc3ncnn3c2N2CCC(CO)CC2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 7/20 0.39
LMNA P02545 5/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 5/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
GLA P06280 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
SCHEMBL6188442 0.91 PDE2A (0.39) PDE2ALMNASMN1; SMN2MAPK1KMT2A
SCHEMBL7831914 0.89 PDE2A (0.36) PDE2ALMNASMN1; SMN2KMT2AALDH1A1
SCHEMBL3601556 0.88 TSHR (0.39) PDE2ALMNASMN1; SMN2MAPK1KMT2A
SCHEMBL4819202 0.85 ALDH1A1 (0.46) PDE2ALMNASMN1; SMN2MAPK1KMT2A
SCHEMBL8519088 0.85 ALDH1A1 (0.46) PDE2ALMNASMN1; SMN2MAPK1KMT2A
SCHEMBL4820533 0.83 SMN1; SMN2 (0.38) PDE2ALMNASMN1; SMN2MAPK1KMT2A
SCHEMBL3605763 0.81 TSHR (0.36) PDE2ALMNASMN1; SMN2MAPK1KMT2A
SCHEMBL4820368 0.80 SMN1; SMN2 (0.39) PDE2ALMNASMN1; SMN2MAPK1KMT2A
SCHEMBL6188798 0.80 SMN1; SMN2 (0.37) PDE2ALMNASMN1; SMN2MAPK1KMT2A
SCHEMBL3610355 0.78 TSHR (0.40) PDE2ALMNASMN1; SMN2KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1066291-B8 FUNGICIDAL 6-(2-HALO-4-ALKOXYPHENYL)-TRIAZOLOPYRIMIDINES BASF AG (DE) 2005-09-14 EP claimed
EP-1574513-A1 Fungicidal 6-(2-halo-4-alkoxyphenyl)-triazolopyrimidines Wyeth (US) 2005-09-14 EP claimed
EP-1066291-B1 FUNGICIDAL 6-(2-HALO-4-ALKOXYPHENYL)-TRIAZOLOPYRIMIDINES BASF AG (DE) 2005-07-13 EP claimed
EP-1066291-A1 FUNGICIDAL 6-(2-HALO-4-ALKOXYPHENYL)-TRIAZOLOPYRIMIDINES AMERICAN CYANAMID COMPANY (US) 2001-01-10 EP claimed
US-5981534-A USE IN AGRICULTURE OR RELATED FIELDS FOR THE CONTROL OF PHYTOPATHOGENIC FUNGI SUCH AS ALTEMARIA SOLANI, BOTRYTIS CINEREA AMERICAN CYANAMID COMPANY (US) 1999-11-09 US claimed
WO-1999048893-A1 FUNGICIDAL 6-(2-HALO-4-ALKOXYPHENYL)-TRIAZOLOPYRIMIDINES AMERICAN CYANAMID COMPANY (US) 1999-09-30 WO claimed
EP-1574513-A1 Fungicidal 6-(2-halo-4-alkoxyphenyl)-triazolopyrimidines Wyeth (US) 2005-09-14 EP disclosed
EP-1066291-B1 FUNGICIDAL 6-(2-HALO-4-ALKOXYPHENYL)-TRIAZOLOPYRIMIDINES BASF AG (DE) 2005-07-13 EP disclosed
US-5981534-A USE IN AGRICULTURE OR RELATED FIELDS FOR THE CONTROL OF PHYTOPATHOGENIC FUNGI SUCH AS ALTEMARIA SOLANI, BOTRYTIS CINEREA AMERICAN CYANAMID COMPANY (US) 1999-11-09 US disclosed