SCHEMBL8879243

SCHEMBL8879243

COc1cc(C(F)(F)F)nc(NC(=O)NS(=O)(=O)c2ccccc2[N+](=O)[O-])n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
LMNA P02545 1/20 0.42
CDK1 P06493 1/20 0.42
MAPT P10636 2/20 0.41
THRB P10828 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 1/20 0.41
ALKBH2 Q6NS38 1/20 0.41
ALKBH5 Q6P6C2 1/20 0.41
ALKBH3 Q96Q83 1/20 0.41
FTO Q9C0B1 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL8874996 0.99 GAA (0.53) GAALMNACDK1MAPTTHRB
SCHEMBL11562116 0.90 GAA (0.58) GAALMNACDK1MAPTTHRB
SCHEMBL10909263 0.86 GAA (0.52) GAACDK1THRBL3MBTL1PKM
SCHEMBL9788644 0.84 GAA (0.44) GAALMNACDK1MAPTL3MBTL1
SCHEMBL9200551 0.83 GAA (0.53) GAACDK1MAPTCA1CA2
SCHEMBL9740141 0.83 GAA (0.53) GAACDK1MAPTKMT2ACA1
SCHEMBL9064624 0.82 MAPT (0.44) GAALMNAMAPTTHRBL3MBTL1
SCHEMBL10755571 0.81 POLB (0.44) GAAMAPTTHRBL3MBTL1PKM
SCHEMBL11639176 0.81 THRB (0.48) LMNAMAPTTHRBL3MBTL1PKM
SCHEMBL11043195 0.81 GAA (0.54) GAACDK1MAPTL3MBTL1KMT2A

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-5612286-A FLUORINE SUBSTITUTED HEERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-03-18 US disclosed