SCHEMBL6994541

SCHEMBL6994541

COc1nc2ncnn2c(-c2ccccc2)c1-c1c(F)cc(F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.44
ALDH1A1 P00352 9/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
HPGD P15428 4/20 0.44
GAA P10253 3/20 0.44
LMNA P02545 3/20 0.44
GLA P06280 1/20 0.44
MAPK1 P28482 3/20 0.42
MAPT P10636 3/20 0.42
POLB P06746 2/20 0.40
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.36
GFER P55789 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
AURKA O14965 1/20 0.36

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
SCHEMBL4813019 0.92 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2HPGDGAA
SCHEMBL6991189 0.91 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2HPGDGAA
SCHEMBL6996527 0.87 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2HPGDGAA
SCHEMBL4820837 0.86 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2HPGDGAA
SCHEMBL6993502 0.85 ALDH1A1 (0.42) KDM4EALDH1A1SMN1; SMN2HPGDGAA
SCHEMBL7000368 0.84 KDM4E (0.46) KDM4EALDH1A1SMN1; SMN2HPGDGAA
SCHEMBL976567 0.84 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2HPGDGAA
SCHEMBL6999009 0.84 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2HPGDGAA
SCHEMBL6990136 0.84 KDM4E (0.45) KDM4EALDH1A1SMN1; SMN2HPGDGAA
SCHEMBL6999259 0.83 ALDH1A1 (0.44) KDM4EALDH1A1SMN1; SMN2HPGDGAA

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-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-1054888-A1 FUNGICIDAL 7-ALKYL-TRIAZOLOPYRIMIDINES AMERICAN CYANAMID COMPANY (US) 2000-11-29 EP disclosed
US-6020338-A Fungicidal 7-alkyl-triazolopyrimidines AMERICAN CYANAMID COMPANY (US) 2000-02-01 US disclosed
WO-1999041255-A1 FUNGICIDAL 7-ALKYL-TRIAZOLOPYRIMIDINES AMERICAN CYANAMID COMPANY (US) 1999-08-19 WO disclosed