SCHEMBL23664313

SCHEMBL23664313

COc1ccc(P2(=S)SP(=S)(c3ccc(OCI)cc3)S2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
MAPT P10636 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 2/20 0.34
MIF P14174 1/20 0.34
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
MAOB P27338 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL7961 0.86 CA1 (0.50) APPCA12CA1CA2CA7
SCHEMBL12999906 0.86 CA1 (0.50) APPCA12CA1CA2CA7
SCHEMBL8347530 0.80 CA1 (0.58) APPCA12CA1CA2CA7
SCHEMBL78695 0.79 ACHE (0.58) CA12CA1CA2CA7CA9
SCHEMBL10045863 0.78 MIF (0.34) APPCA12CA1CA2CA7
SCHEMBL10077999 0.77 ESR2 (0.53) APPCA12CA1CA2CA7
SCHEMBL10258334 0.77 ALDH1A1 (0.41) CA12CA1CA2CA7CA9
SCHEMBL10073259 0.76 PLK1 (0.38) CA1CA2MAPTMEN1KMT2A
SCHEMBL26234450 0.76 MAPT (0.47) CA12CA1CA2CA7CA9
SCHEMBL10224439 0.74 ALDH1A1 (0.42) APPCA12CA1CA2CA7

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-2021143677-A1 FUSED RING SUBSTITUTED AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION, AND USE THEREOF 青岛清原化合物有限公司 2021-07-22 WO disclosed