SCHEMBL10344488

SCHEMBL10344488

CN(C)C(=O)Nc1c[c]c(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
APEX1 P27695 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
TP53 P04637 1/20 0.43
HTT P42858 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
SCHEMBL10344720 0.81 TSHR (0.53) TSHRAPEX1CA12CA1CA2
SCHEMBL2683899 0.80 SMN1; SMN2 (0.50) TSHRCA12CA1CA2CA9
SCHEMBL10800714 0.79 TSHR (0.61) TSHRAPEX1CA12CA1CA2
SCHEMBL687878 0.77 TSHR (0.79) TSHRAPEX1CA12CA1CA2
SCHEMBL12292880 0.76 TSHR (0.66) TSHRAPEX1CA12CA1CA2
SCHEMBL10344806 0.75 APEX1 (0.50) TSHRAPEX1TP53HTT
SCHEMBL9931611 0.73 TSHR (0.45) TSHRAPEX1CA12CA1CA2
SCHEMBL10344815 0.72 SMN1; SMN2 (0.52) TSHRHTT
SCHEMBL1419142 0.71 TSHR (0.50) TSHRAPEX1TP53
SCHEMBL10337709 0.71 TSHR (0.59) TSHRAPEX1TP53HTT

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