SCHEMBL678391

SCHEMBL678391

Nc1ccc(S(=O)(=O)[O-])cc1.Nc1ccc(S(=O)(=O)[O-])cc1.Nc1ccc(S(=O)(=O)[O-])cc1.[Ce+3]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.62
HTR6 P50406 2/20 0.62
LMNA P02545 2/20 0.62
MPO P05164 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2C9 P11712 1/20 0.62
CA2 P00918 5/20 0.59
CA9 Q16790 5/20 0.59
CA1 P00915 4/20 0.59
CA12 O43570 4/20 0.59
CA14 Q9ULX7 2/20 0.59
AGO2 Q9UKV8 2/20 0.59
CA4 P22748 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
USP2 O75604 1/20 0.59
CA6 P23280 1/20 0.59
CA5A P35218 1/20 0.59
CA7 P43166 1/20 0.59
CA13 Q8N1Q1 1/20 0.59
CA5B Q9Y2D0 1/20 0.59

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
SCHEMBL28999750 0.94 TSHR (0.62) TSHRHTR6LMNAMPOCYP3A4
SCHEMBL31212650 0.94 TSHR (0.62) TSHRHTR6LMNAMPOCYP3A4
SCHEMBL11316984 0.94 TSHR (0.62) TSHRHTR6LMNAMPOCYP3A4
SCHEMBL2289878 0.94 TSHR (0.62) TSHRHTR6LMNAMPOCYP3A4
Potassium Ion SCHEMBL5776427 0.94 TSHR (0.62) TSHRHTR6LMNAMPOCYP3A4
Silver SCHEMBL30882004 0.94 TSHR (0.62) TSHRHTR6LMNAMPOCYP3A4
SCHEMBL31108168 0.94 TSHR (0.62) TSHRHTR6LMNAMPOCYP3A4
SCHEMBL646075 0.94 TSHR (0.62) TSHRHTR6LMNAMPOCYP3A4
SCHEMBL7766922 0.94 TSHR (0.62) TSHRHTR6LMNAMPOCYP3A4
SCHEMBL29874079 0.94 TSHR (0.62) TSHRHTR6LMNAMPOCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110268692-A1 Synergistic rodenticidal compositions BAYER CROPSCIENCE AG (DE) 2011-11-03 US disclosed
US-20100287815-A1 METHOD FOR CONTROLLING HARMFUL RODENTS IN AGRICULTURAL ENTERPRISES BAYER CROPSCIENCE AG (DE) 2010-11-18 US disclosed
US-20050181003-A1 Rodenticidal bait systems BAYER CROPSCIENCE AG (DE) 2005-08-18 US disclosed
US-20040247638-A1 Method for controlling harmful rodents in agricultural enterprises BAYER CROPSCIENCE AG (DE) 2004-12-09 US disclosed
US-6036970-A POISONS FOR ANIMALS SUCH AS RODENTS BAYER AKTIENGESELLSCHAFT (DE) 2000-03-14 US disclosed
US-4011332-A RODENTICIDE BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DT) 1977-03-08 US disclosed