SCHEMBL8628626

SCHEMBL8628626

CSc1[nH]nc(-c2cc(SC(C)C(=O)O)c(Cl)cc2Cl)c1CCl

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TYMP P19971 2/20 0.33
ALPL P05186 2/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL8626439 0.73 PPOX (0.37) HSD17B10KDM4E
SCHEMBL8621125 0.70 POLB (0.35) TYMPKDM4ELMNA
SCHEMBL25435981 0.62 APP (0.38) TYMPHSD17B10KDM4ELMNA
SCHEMBL25435984 0.62 APP (0.38) TYMPHSD17B10KDM4ELMNA
SCHEMBL9780541 0.60 PPARA (0.50) TYMPHSD17B10KDM4ELMNA
SCHEMBL9780537 0.60 PPARA (0.50) TYMPHSD17B10KDM4ELMNA
SCHEMBL8603214 0.59 LMNA (0.38) TYMPHSD17B10KDM4ELMNA
SCHEMBL31370971 0.58 PPARA (0.48) TYMPKDM4ELMNA
SCHEMBL8063460 0.57 ALDH1A1 (0.36) TYMPHSD17B10KDM4ELMNA
SCHEMBL9849304 0.56 RXFP1 (0.49) TYMPKDM4ELMNA

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
EP-0443059-B1 3-(Substituted phenyl)pyrazole derivatives, salts thereof, herbicides therefrom, and process for producing said derivatives or salts NIHON NOHYAKU CO LTD (JP) 1998-06-17 EP disclosed