SCHEMBL9433947

SCHEMBL9433947

O=C(O)CCCSc1cc(N=c2sc(=O)n3n2CCCC3)c(F)cc1Cl

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
FFAR4 Q5NUL3 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
SCHEMBL1054329 0.88 GRK6 (0.32) HPGD
Fluthiacetmethyl SCHEMBL9048322 0.81 KMT2A (0.35) POLBHPGD
SCHEMBL8342010 0.80 HPGD (0.31) HPGD
SCHEMBL4885565 0.80 SLC22A12 (0.31)
SCHEMBL8562796 0.79 ALDH1A1 (0.34)
SCHEMBL9376469 0.78
SCHEMBL8562171 0.78 ALDH1A1 (0.32) POLBHPGD
SCHEMBL9376476 0.78
SCHEMBL9824707 0.78 TP53 (0.33) HPGD
SCHEMBL9824710 0.78 TP53 (0.33) HPGD

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
WO-1994025467-A1 THIADIAZABICYCLONONANE DERIVATIVES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES CIBA-GEIGY AG (CH) 1994-11-10 WO disclosed