SCHEMBL9737308

SCHEMBL9737308

COc1nc(NC(=NN=C(C)C)NS(=O)(=O)c2ccccc2C(F)(F)F)nc(OC)n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 8/20 0.42
ALKBH2 Q6NS38 1/20 0.40
ALKBH3 Q96Q83 1/20 0.40
FTO Q9C0B1 1/20 0.40
USP2 O75604 1/20 0.38
USP8 P40818 1/20 0.38
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC40A1 Q9NP59 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
SCHEMBL9737078 0.86 ALPL (0.40) SLC22A12MAPTSLC40A1
SCHEMBL9587331 0.82 KMT2A (0.43) GAATDP1MAPTMEN1KMT2A
SCHEMBL2973031 0.79 MAPT (0.44) SLC22A12ALKBH2ALKBH3FTOUSP2
SCHEMBL29508588 0.78 MAPT (0.45) SLC22A12ALKBH2ALKBH3FTOUSP2
SCHEMBL30116869 0.78 MAPT (0.45) SLC22A12ALKBH2ALKBH3FTOUSP2
SCHEMBL53993 0.78 MAPT (0.45) SLC22A12ALKBH2ALKBH3FTOUSP2
SCHEMBL10500864 0.78 SLC22A12 (0.43) SLC22A12ALKBH2ALKBH3FTOUSP2
SCHEMBL6829101 0.77 MAPT (0.44) SLC22A12ALKBH2ALKBH3FTOUSP2
SCHEMBL9738431 0.77 MAPT (0.33) SLC22A12MAPTALDH1A1
SCHEMBL7561744 0.76 MAPT (0.43) SLC22A12ALKBH2ALKBH3FTOUSP2

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-5167692-A Pre- and postemergence BAYER AKTIENGESELLSCHAFT (DE) 1992-12-01 US claimed