SCHEMBL10692208

SCHEMBL10692208

COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2OC(F)(F)F)n1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.42
ALPL P05186 1/20 0.41
SLC40A1 Q9NP59 1/20 0.40
PTGER4 P35408 1/20 0.38
IDH1 O75874 1/20 0.38
FBP1 P09467 1/20 0.38
NAMPT P43490 1/20 0.36
MRGPRX1 Q96LB2 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
SCHEMBL10695682 0.94 MAPT (0.46) MAPTKDM4ENPC1ALDH1A1GAA
SCHEMBL10915190 0.92 MAPT (0.42) MAPTKDM4ENPC1ALDH1A1GAA
SCHEMBL11000660 0.91 MAPT (0.42) MAPTKDM4ENPC1ALDH1A1GAA
SCHEMBL2994281 0.89 KDM4E (0.47) MAPTKDM4ENPC1ALDH1A1GAA
SCHEMBL11112932 0.89 ALDH1A1 (0.41) MAPTKDM4ENPC1ALDH1A1GAA
SCHEMBL10383472 0.87 MAPT (0.46) MAPTKDM4ENPC1ALDH1A1GAA
SCHEMBL1869173 0.86 MAPT (0.41) MAPTKDM4ENPC1ALDH1A1GAA
SCHEMBL10383467 0.86 MAPT (0.43) MAPTKDM4ENPC1ALDH1A1GAA
SCHEMBL10384286 0.85 MAPT (0.45) MAPTKDM4ENPC1ALDH1A1GAA
SCHEMBL10565947 0.85 ALDH1A1 (0.47) MAPTKDM4ENPC1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4780126-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1988-10-25 US disclosed