SCHEMBL6186989

SCHEMBL6186989

COc1cc(F)c(-c2c(Cl)nc3ncnn3c2NC(C)C)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.40
SMN1; SMN2 Q16637 5/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 5/20 0.35
TSHR P16473 3/20 0.35
GALR3 O60755 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
HTT P42858 2/20 0.35
NPC1 O15118 2/20 0.35
PDE2A O00408 2/20 0.35
HPGD P15428 3/20 0.34
KDM4E B2RXH2 3/20 0.34
HSD17B10 Q99714 1/20 0.34
MBOAT4 Q96T53 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 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
SCHEMBL4816443 0.89 CRHR1 (0.38) CRHR1SMN1; SMN2MAPK1ALDH1A1TSHR
SCHEMBL4817162 0.89 CRHR1 (0.38) CRHR1SMN1; SMN2MAPK1ALDH1A1TSHR
SCHEMBL4817937 0.89 CRHR1 (0.38) CRHR1SMN1; SMN2MAPK1ALDH1A1TSHR
SCHEMBL6185497 0.89 CRHR1 (0.44) CRHR1SMN1; SMN2MAPK1ALDH1A1TSHR
SCHEMBL6188690 0.89 TSHR (0.39) CRHR1SMN1; SMN2MAPK1ALDH1A1TSHR
SCHEMBL975954 0.89 MAPK1 (0.38) SMN1; SMN2MAPK1ALDH1A1TSHRPDE2A
SCHEMBL4817150 0.85 CRHR1 (0.40) CRHR1SMN1; SMN2MAPK1ALDH1A1TSHR
SCHEMBL4819367 0.83 PDE2A (0.38) CRHR1SMN1; SMN2MAPK1ALDH1A1TSHR
SCHEMBL6187065 0.83 SMN1; SMN2 (0.38) CRHR1SMN1; SMN2MAPK1ALDH1A1TSHR
SCHEMBL6189796 0.82 SMN1; SMN2 (0.41) CRHR1SMN1; SMN2MAPK1ALDH1A1TSHR

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 10 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-6284762-B1 AGRICULTURE AMERICAN CYANAMID COMPANY 2001-09-04 US 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