SCHEMBL11686263

SCHEMBL11686263

CN(C)C(=O)Nc1ccc(OC(F)(F)C(F)Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
TRPV1 Q8NER1 1/20 0.48
EPHX2 P34913 1/20 0.46
APEX1 P27695 1/20 0.44
TP53 P04637 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL11683333 0.90 LMNA (0.50) TSHRLMNAPOLBTRPV1EPHX2
SCHEMBL11682241 0.90 TSHR (0.53) TSHRTRPV1EPHX2APEX1TP53
SCHEMBL10671063 0.90 TRPV1 (0.58) TSHRTRPV1EPHX2TP53CA12
SCHEMBL11683842 0.86 TSHR (0.56) TSHRTRPV1EPHX2APEX1TP53
SCHEMBL11684390 0.85 LMNA (0.72) LMNAPOLBEPHX2TP53
SCHEMBL9687321 0.84 LMNA (0.54) LMNAPOLBTRPV1EPHX2CA1
SCHEMBL11845089 0.83 EPHX2 (0.67) TSHRTRPV1EPHX2
SCHEMBL11000662 0.83 EPHX2 (0.67) LMNAPOLBTRPV1EPHX2TP53
SCHEMBL11684069 0.82 LMNA (0.52) TSHRLMNAPOLBTRPV1EPHX2
SCHEMBL11686688 0.82 EPHX2 (0.53) LMNAPOLBTRPV1EPHX2CA12

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-4013452-A Urea derivatives and their use as herbicides HOECHST AKTIENGESELLSCHAFT (DT) 1977-03-22 US disclosed
US-3937726-A UREA DERIVATIVES AND THEIR USE AS HERBICIDES HOECHST AKTIENGESELLSCHAFT (DT) 1976-02-10 US disclosed