SCHEMBL6187065

SCHEMBL6187065

COc1cc(F)c(-c2c(Cl)nc3ncnn3c2NC2CC2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
MAPK1 P28482 1/20 0.38
PDE2A O00408 5/20 0.37
CRHR1 P34998 1/20 0.35
HPGD P15428 2/20 0.35
ALDH1A1 P00352 2/20 0.34
EGLN2 Q96KS0 1/20 0.34
NPC1 O15118 1/20 0.34
GALR3 O60755 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GRM1 Q13255 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
SCHEMBL4819367 0.96 PDE2A (0.38) SMN1; SMN2MAPK1PDE2ACRHR1HPGD
SCHEMBL6410703 0.89 PDGFRB (0.36) SMN1; SMN2MAPK1PDE2ACRHR1EGLN2
SCHEMBL6186174 0.85 PDGFRB (0.38) SMN1; SMN2MAPK1PDE2ACRHR1
SCHEMBL978477 0.84 KMT2A (0.36) SMN1; SMN2MAPK1PDE2AHPGDALDH1A1
SCHEMBL6186989 0.83 CRHR1 (0.40) SMN1; SMN2MAPK1PDE2ACRHR1HPGD
SCHEMBL7830854 0.82 PDE2A (0.33) MAPK1PDE2AALDH1A1EGLN2TSHR
SCHEMBL5593148 0.82 PDE2A (0.36) SMN1; SMN2PDE2AHPGDEGLN2NPC1
SCHEMBL6189796 0.81 SMN1; SMN2 (0.41) SMN1; SMN2MAPK1PDE2ACRHR1HPGD
SCHEMBL7490647 0.80 EGLN2 (0.39) SMN1; SMN2MAPK1PDE2AHPGDALDH1A1
SCHEMBL6186573 0.80 MBOAT4 (0.38) SMN1; SMN2MAPK1PDE2ACRHR1HPGD

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 6 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