SCHEMBL6186514

SCHEMBL6186514

COc1cc(F)c(-c2c(O)nc3ncnn3c2O)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.41
MAPK1 P28482 3/20 0.41
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 4/20 0.38
HPGD P15428 4/20 0.38
LMNA P02545 3/20 0.38
GAA P10253 2/20 0.38
GLA P06280 1/20 0.38
PDE2A O00408 5/20 0.37
CYP1A2 P05177 2/20 0.37
GRM8 O00222 1/20 0.37
GRM7 Q14831 1/20 0.37
HSD17B10 Q99714 1/20 0.36
TSHR P16473 3/20 0.34
HTT P42858 3/20 0.34
ENPP1 P22413 1/20 0.33
RECQL P46063 1/20 0.33
NPC1 O15118 1/20 0.33
GALR3 O60755 1/20 0.33
CYP2D6 P10635 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
SCHEMBL14108156 0.85 KDM4E (0.43) MAPK1ALDH1A1KDM4EHPGDLMNA
SCHEMBL3277090 0.85 MAPK1 (0.39) MAPK1ALDH1A1KDM4EHPGDGAA
SCHEMBL6068253 0.79 ALDH1A1 (0.32) MAPK1ALDH1A1KDM4ETSHRALOX15
SCHEMBL6068255 0.79 ALDH1A1 (0.32) MAPK1ALDH1A1KDM4ELMNAPDE2A
SCHEMBL23925377 0.78 EGLN2 (0.47) ALDH1A1GAA
SCHEMBL6189796 0.76 SMN1; SMN2 (0.41) SMN1; SMN2MAPK1ALDH1A1KDM4EHPGD
SCHEMBL7493866 0.75 KDM4E (0.35) SMN1; SMN2MAPK1ALDH1A1KDM4EHPGD
SCHEMBL4265487 0.75 EGLN2 (0.36) MAPK1ALDH1A1KDM4EHPGDTSHR
SCHEMBL4818536 0.74 MBOAT4 (0.45) SMN1; SMN2MAPK1ALDH1A1KDM4EHPGD
SCHEMBL4479524 0.74 EGLN2 (0.34) MAPK1ALDH1A1KDM4ELMNAPDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1066291-B8 FUNGICIDAL 6-(2-HALO-4-ALKOXYPHENYL)-TRIAZOLOPYRIMIDINES BASF AG (DE) 2005-09-14 EP disclosed
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-6284762-B1 AGRICULTURE AMERICAN CYANAMID COMPANY 2001-09-04 US disclosed
EP-1066291-A1 FUNGICIDAL 6-(2-HALO-4-ALKOXYPHENYL)-TRIAZOLOPYRIMIDINES AMERICAN CYANAMID COMPANY (US) 2001-01-10 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
WO-1999048893-A1 FUNGICIDAL 6-(2-HALO-4-ALKOXYPHENYL)-TRIAZOLOPYRIMIDINES AMERICAN CYANAMID COMPANY (US) 1999-09-30 WO disclosed