SCHEMBL10344941

SCHEMBL10344941

CN(C)C(=O)Nc1cc(Cl)[c]c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
APEX1 P27695 1/20 0.56
TP53 P04637 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL10344723 0.82 PKM (0.61) TSHRAPEX1
SCHEMBL7276010 0.80 TSHR (0.66) TSHRAPEX1
SCHEMBL10344592 0.79 APEX1 (0.58) TSHRAPEX1TP53
SCHEMBL1816471 0.78 LMNA (0.54) TSHRCA12CA1CA2CA9
SCHEMBL10883879 0.77 APEX1 (0.66) TSHRAPEX1
SCHEMBL2599766 0.74 TSHR (0.52) TSHRAPEX1TP53
SCHEMBL10575419 0.74 LMNA (0.59) TSHRAPEX1TP53
SCHEMBL10800714 0.73 TSHR (0.61) TSHRAPEX1CA12CA1CA2
SCHEMBL10676483 0.73 APEX1 (0.75) TSHRAPEX1
SCHEMBL10667384 0.73 APEX1 (0.60) TSHRAPEX1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0192111-B1 ISO-UREAS, PROCESSES FOR THEIR PRODUCTION AND THEIR USE AS HERBICIDES BASF Aktiengesellschaft (DE) 1990-05-16 EP disclosed
US-4692187-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1987-09-08 US disclosed
EP-0192111-A1 Iso-ureas, processes for their production and their use as herbicides BASF Aktiengesellschaft (DE) 1986-08-27 EP disclosed