SCHEMBL6996527

SCHEMBL6996527

FCOc1nc2ncnn2c(-c2ccccc2)c1-c1c(F)cc(F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.40
ALDH1A1 P00352 8/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 3/20 0.39
POLB P06746 2/20 0.39
MAPK1 P28482 3/20 0.39
MAPT P10636 2/20 0.39
TSHR P16473 1/20 0.36
GAA P10253 2/20 0.36
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36
AURKA O14965 1/20 0.36
UBE2M P61081 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.35
MEN1 O00255 1/20 0.34
GFER P55789 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 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
SCHEMBL6994541 0.87 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2HPGDPOLB
SCHEMBL976567 0.81 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2HPGDPOLB
SCHEMBL973763 0.81 ALDH1A1 (0.43) KDM4EALDH1A1SMN1; SMN2HPGDPOLB
SCHEMBL6996981 0.81 ALDH1A1 (0.43) KDM4EALDH1A1SMN1; SMN2HPGDPOLB
SCHEMBL6990136 0.81 KDM4E (0.45) KDM4EALDH1A1SMN1; SMN2HPGDPOLB
SCHEMBL4815261 0.80 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2HPGDPOLB
SCHEMBL4813019 0.80 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2HPGDPOLB
SCHEMBL6992631 0.79 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2HPGDPOLB
SCHEMBL7000548 0.78 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2HPGDPOLB
SCHEMBL6994549 0.78 ALDH1A1 (0.43) KDM4EALDH1A1SMN1; SMN2HPGDPOLB

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 7 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
EP-1054888-A1 FUNGICIDAL 7-ALKYL-TRIAZOLOPYRIMIDINES AMERICAN CYANAMID COMPANY (US) 2000-11-29 EP claimed
US-6020338-A Fungicidal 7-alkyl-triazolopyrimidines AMERICAN CYANAMID COMPANY (US) 2000-02-01 US claimed
WO-1999041255-A1 FUNGICIDAL 7-ALKYL-TRIAZOLOPYRIMIDINES AMERICAN CYANAMID COMPANY (US) 1999-08-19 WO claimed
EP-1054888-B1 FUNGICIDAL 7-ALKYL-TRIAZOLOPYRIMIDINES BASF AG (DE) 2003-11-26 EP disclosed
EP-1359150-A2 A process and intermediates for the preparation of fungicidal 7-alkyl-triazolopyrimidines BASF AKTIENGESELLSCHAFT (DE) 2003-11-05 EP disclosed
US-6020338-A Fungicidal 7-alkyl-triazolopyrimidines AMERICAN CYANAMID COMPANY (US) 2000-02-01 US disclosed