SCHEMBL9807500

SCHEMBL9807500

FC(Cl)C(F)(F)Oc1ccccc1CCl

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
SLC6A2 P23975 5/20 0.34
SLC6A4 P31645 5/20 0.34
KCNH2 Q12809 4/20 0.34
CYP2D6 P10635 3/20 0.34
SLC6A3 Q01959 3/20 0.34
KCNN3 Q9UGI6 1/20 0.34
CCR8 P51685 1/20 0.33
GRIN2B Q13224 2/20 0.32
PPARG P37231 2/20 0.31
GRIN1 Q05586 1/20 0.31
PPARA Q07869 1/20 0.31
DRD2 P14416 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 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
SCHEMBL7751646 0.83 LMNA (0.42) LMNAPOLBALDH1A1TSHR
SCHEMBL9807492 0.80 POLB (0.35) LMNAPOLBSLC6A2SLC6A4KCNH2
SCHEMBL3151346 0.80 GRIN2B (0.44) SLC6A2SLC6A4KCNH2CYP2D6SLC6A3
SCHEMBL9807522 0.79 LMNA (0.40) LMNAPOLBSLC6A2SLC6A4KCNH2
SCHEMBL9807509 0.79 CA1 (0.35) LMNAPOLBSLC6A2SLC6A4KCNH2
SCHEMBL3150553 0.77 SLC6A3 (0.34) SLC6A2SLC6A4KCNH2CYP2D6SLC6A3
SCHEMBL7750622 0.77 LMNA (0.38) LMNAPOLBSLC6A2SLC6A4SLC6A3
SCHEMBL3075356 0.75 ALDH1A1 (0.41) LMNAPOLBALDH1A1TSHR
SCHEMBL9807512 0.75 LMNA (0.40) LMNAPOLBSLC6A2SLC6A4SLC6A3
SCHEMBL3361480 0.74 RIPK1 (0.40) SLC6A2SLC6A4KCNH2SLC6A3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4990637-A Chemical intermediates BAYER AKTIENGESELLSCHAFT (DE) 1991-02-05 US disclosed
US-4927454-A Substituted 1-benzylsulphonyl-3-heteroaryl-(thio)urea herbicides BAYER AKTIENGESELLSCHAFT (DE) 1990-05-22 US disclosed
US-4806147-A Substituted 1-benzylsulphonyl-3-heteroaryl-(thio)urea herbicides BAYER AKTIENGESELLSCHAFT (DE) 1989-02-21 US disclosed
EP-0271780-A2 Substituted 1-benzylsulfonyl-3-heteroaryl(thio) urea BAYER AG (DE) 1988-06-22 EP disclosed