SCHEMBL6993502

SCHEMBL6993502

COc1nc2ncnn2c(-c2ccccc2)c1-c1ccccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
KDM4E B2RXH2 7/20 0.42
HPGD P15428 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
GLA P06280 2/20 0.42
GAA P10253 2/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 2/20 0.40
MAPT P10636 1/20 0.40
EGLN2 Q96KS0 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 1/20 0.38
GABRG2 P18507 4/20 0.37
GABRB3 P28472 4/20 0.37
GABRA3 P34903 4/20 0.37
GABRA1 P14867 1/20 0.37
MEN1 O00255 1/20 0.37
GFER P55789 1/20 0.37

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
SCHEMBL6991189 0.89 KDM4E (0.43) ALDH1A1KDM4EHPGDSMN1; SMN2GLA
SCHEMBL6999009 0.85 KDM4E (0.40) ALDH1A1KDM4EHPGDSMN1; SMN2GLA
SCHEMBL6994541 0.85 KDM4E (0.44) ALDH1A1KDM4EHPGDSMN1; SMN2GLA
SCHEMBL4813019 0.84 KDM4E (0.48) ALDH1A1KDM4EHPGDSMN1; SMN2GLA
SCHEMBL4820837 0.79 KDM4E (0.41) ALDH1A1KDM4EHPGDSMN1; SMN2GLA
SCHEMBL6993499 0.77 PDE2A (0.41) GABRG2GABRB3GABRA3
SCHEMBL7000368 0.77 KDM4E (0.46) ALDH1A1KDM4EHPGDSMN1; SMN2GLA
SCHEMBL6990136 0.76 KDM4E (0.45) ALDH1A1KDM4EHPGDSMN1; SMN2GLA
SCHEMBL6999259 0.75 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDSMN1; SMN2GLA
SCHEMBL6992631 0.74 KDM4E (0.43) ALDH1A1KDM4EHPGDSMN1; SMN2GLA

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