SCHEMBL6829101

SCHEMBL6829101

COc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(F)(F)F)nc(C(F)(F)F)n1.[NaH]

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
SLC22A12 Q96S37 3/20 0.42
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
ALKBH2 Q6NS38 1/20 0.40
ALKBH3 Q96Q83 1/20 0.40
FTO Q9C0B1 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
USP2 O75604 1/20 0.38
USP8 P40818 1/20 0.38
KAT6A Q92794 1/20 0.37
RXFP1 Q9HBX9 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
SCHEMBL29508588 0.99 MAPT (0.45) MAPTALDH1A1KDM4ENPC1SLC22A12
SCHEMBL53993 0.99 MAPT (0.45) MAPTALDH1A1KDM4ENPC1SLC22A12
SCHEMBL30116869 0.99 MAPT (0.45) MAPTALDH1A1KDM4ENPC1SLC22A12
Sulfuric Acid SCHEMBL21381522 0.94 MAPT (0.42) MAPTALDH1A1KDM4ENPC1SLC22A12
SCHEMBL2108588 0.90 GAA (0.41) MAPTALDH1A1KDM4ENPC1SLC22A12
SCHEMBL8843178 0.88 ALDH1A1 (0.57) MAPTALDH1A1KDM4ENPC1GAA
SCHEMBL2973031 0.88 MAPT (0.44) MAPTALDH1A1KDM4ENPC1SLC22A12
SCHEMBL7567488 0.87 MAPT (0.42) MAPTALDH1A1KDM4ENPC1SLC22A12
SCHEMBL9364251 0.87 MAPT (0.43) MAPTALDH1A1KDM4ENPC1GAA
SCHEMBL8842964 0.87 ALDH1A1 (0.56) MAPTALDH1A1KDM4ENPC1GAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1317181-B1 METHOD FOR PRODUCING A SOLID HERBICIDE FORMULATION BASF AG (DE) 2004-04-28 EP disclosed
EP-1317181-A1 METHOD FOR PRODUCING A SOLID HERBICIDE FORMULATION BASF AKTIENGESELLSCHAFT (DE) 2003-06-11 EP disclosed
WO-2002017718-A1 METHOD FOR PRODUCING A SOLID HERBICIDE FORMULATION BASF AKTIENGESELLSCHAFT (DE) 2002-03-07 WO disclosed