SCHEMBL6995162

SCHEMBL6995162

COc1cc(F)c(-c2c(OCC(F)(F)F)nc3ncnn3c2-c2ccccc2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.43
ALDH1A1 P00352 7/20 0.43
HPGD P15428 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 2/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
POLB P06746 1/20 0.42
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 4/20 0.37
MAPK1 P28482 2/20 0.37
MBOAT4 Q96T53 2/20 0.36
GRM8 O00222 1/20 0.36
GRM7 Q14831 1/20 0.36
HSD17B10 Q99714 2/20 0.35
ALPL P05186 1/20 0.35
ALPG P10696 1/20 0.35

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
SCHEMBL6990136 0.89 KDM4E (0.45) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL4813019 0.89 KDM4E (0.48) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL6992631 0.87 KDM4E (0.43) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL7000368 0.86 KDM4E (0.46) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL6999259 0.84 ALDH1A1 (0.44) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL4815261 0.82 KDM4E (0.40) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL4811916 0.81 ALDH1A1 (0.47) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL4820837 0.81 KDM4E (0.41) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL6994541 0.81 KDM4E (0.44) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL6991189 0.79 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
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-1359150-A2 A process and intermediates for the preparation of fungicidal 7-alkyl-triazolopyrimidines BASF AKTIENGESELLSCHAFT (DE) 2003-11-05 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