SCHEMBL6990136

SCHEMBL6990136

CCOc1nc2ncnn2c(-c2ccccc2)c1-c1c(F)cc(OC)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.45
ALDH1A1 P00352 8/20 0.45
HPGD P15428 7/20 0.45
SMN1; SMN2 Q16637 6/20 0.45
LMNA P02545 2/20 0.45
GAA P10253 2/20 0.45
GLA P06280 1/20 0.45
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPK1 P28482 4/20 0.39
MAPT P10636 3/20 0.39
POLB P06746 1/20 0.37
HSD17B10 Q99714 3/20 0.37
ALPL P05186 1/20 0.37
ALPG P10696 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.36
MEN1 O00255 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 0.91 KDM4E (0.48) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL6992631 0.90 KDM4E (0.43) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL6995162 0.89 KDM4E (0.43) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL7000368 0.88 KDM4E (0.46) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL6999259 0.87 ALDH1A1 (0.44) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL4815261 0.84 KDM4E (0.40) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL4811916 0.84 ALDH1A1 (0.47) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL4820837 0.84 KDM4E (0.41) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL6994541 0.84 KDM4E (0.44) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL6991189 0.81 KDM4E (0.43) KDM4EALDH1A1HPGDSMN1; SMN2LMNA

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