SCHEMBL7918650

SCHEMBL7918650

Cc1cc(=O)n(-c2cc(NS(C)(=O)=O)c(Cl)cc2F)c(=O)n1C

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPOX P50336 1/20 0.44
MAPT P10636 2/20 0.38
TP53 P04637 3/20 0.34
TSHR P16473 1/20 0.33
BRD4 O60885 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KAT2B Q92831 1/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 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
SCHEMBL5361878 0.85 PPOX (0.40) PPOXMAPTTP53BRD4ALDH1A1
SCHEMBL7627173 0.83 PGR (0.35) PPOXBRD4
SCHEMBL8562649 0.79 PPOX (0.45) PPOXMAPTTP53TSHRBRD4
SCHEMBL9081076 0.79 PPOX (0.42) PPOXMAPTTP53BRD4
SCHEMBL8462175 0.77 PPOX (0.39) PPOX
SCHEMBL10575883 0.77 HSP90AA1 (0.32) MAPT
SCHEMBL10575657 0.77 TP53 (0.33) MAPTTP53
SCHEMBL8523910 0.77 PPOX (0.42) PPOXMAPTTP53TSHRBRD4
SCHEMBL10414302 0.75 PPOX (0.46) PPOXMAPTTP53BRD4ALDH1A1
SCHEMBL7833797 0.74 PSIP1 (0.33) PPOXMAPTBRD4

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
US-6300280-B1 COMPOUNDS FOR HERBICIDES AND INSECTICIDES. BAYER AKTIENGESELLSCHAFT (DE) 2001-10-09 US disclosed
US-6228809-B1 SELECTIVE CONTROL OF MONOCOTYLEDONOUS AND DICOTYLEDONOUS WEEDS IN MONOCOTYLEDONOUS CROPS PRE- AND POST-EMERGENCE BAYER AKTIENGESELLSCHAFT (DE) 2001-05-08 US disclosed