SCHEMBL4968960

SCHEMBL4968960

CCc1n[nH]c(O)c1C(=O)c1ccc(S(C)(=O)=O)c(C(=O)OC)c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.32
MAPT P10636 3/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
HIF1A Q16665 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
POLB P06746 2/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31

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
SCHEMBL7807452 0.84 PIK3CA (0.32)
SCHEMBL12478033 0.83
SCHEMBL4966956 0.83
SCHEMBL8300662 0.82 MAPT (0.38) ALDH1A1MAPTTDP1POLBHSP90AA1
SCHEMBL4969997 0.82 POLB (0.32) MAPTPOLB
SCHEMBL8301326 0.81 CA12 (0.35) ALDH1A1SMN1; SMN2RAB9A
SCHEMBL8302118 0.80 DPP4 (0.35) ALDH1A1POLBKMT2A
SCHEMBL7810857 0.79
SCHEMBL8301544 0.79 GHSR (0.34)
SCHEMBL7802356 0.79 CYP1A2 (0.34) ALDH1A1MAPTCYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963274-A1 BENZOYLPYRAZOLE COMPOUNDS AND HERBICIDES CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 2008-09-03 EP disclosed
WO-2007069771-A1 BENZOYLPYRAZOLE COMPOUNDS AND HERBICIDES CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 2007-06-21 WO disclosed