SCHEMBL8300550

SCHEMBL8300550

CCc1n[nH]c(O)c1C(=O)c1ccc(S(C)(=O)=O)c(-c2cccc(OC)c2)c1C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PLK1 P53350 1/20 0.37
ROCK2 O75116 2/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PIN1 Q13526 1/20 0.35
TP53 P04637 1/20 0.35
ROCK1 Q13464 1/20 0.35
GRK6 P43250 1/20 0.34
MAP2K4 P45985 1/20 0.34
SLC9A1 P19634 1/20 0.34

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
SCHEMBL8300662 0.90 MAPT (0.38) MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL8303758 0.89 HEXA (0.35) PIN1GRK6SLC9A1
SCHEMBL8306715 0.85 CRHR1 (0.36) MAPTROCK2KDM4ETP53ROCK1
SCHEMBL8302118 0.83 DPP4 (0.35) ALDH1A1
SCHEMBL8301326 0.82 CA12 (0.35) SMN1; SMN2ALDH1A1
SCHEMBL8301544 0.82 GHSR (0.34)
SCHEMBL8301349 0.81 MEN1 (0.34) MAPTSMN1; SMN2KDM4EALDH1A1TP53
SCHEMBL8300843 0.81 GSK3B (0.34) GRK6
SCHEMBL8305579 0.80 MAPT (0.33) MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL8306931 0.79 HEXA (0.34) MAPTKDM4EALDH1A1

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-0914317-A2 1-ALKYL-4-BENZOYL-5-HYDROXYPYRAZOLE COMPOUNDS AND THEIR USE AS HERBICIDES Dow AgroSciences LLC (US) 1999-05-12 EP disclosed
WO-1998052926-A2 1-ALKYL-4-BENZOYL-5-HYDROXYPYRAZOLE COMPOUNDS AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 1998-11-26 WO disclosed