SCHEMBL3672369

SCHEMBL3672369

CS(=O)(=O)c1c(Cl)c(Cl)nc(Cl)c1Cl.Cn1cc(C(=O)Nc2ccccc2OC(F)(F)C(F)F)c(C(F)(F)F)n1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
MRGPRX1 Q96LB2 6/20 0.39
IRAK4 Q9NWZ3 8/20 0.37
STING1 Q86WV6 1/20 0.36

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
SCHEMBL69473 0.87 LMNA (0.53) LMNAPOLBTSHRMAPK1IRAK4
SCHEMBL29469563 0.87 LMNA (0.53) LMNAPOLBTSHRMAPK1IRAK4
SCHEMBL302641 0.82 LMNA (0.53) LMNAPOLBTSHRMAPK1IRAK4
SCHEMBL672497 0.82 LMNA (0.53) LMNAPOLBTSHRMAPK1IRAK4
SCHEMBL29274932 0.82 LMNA (0.47) LMNAPOLBTSHRMAPK1IRAK4
SCHEMBL3062126 0.81 TSHR (0.48) LMNAPOLBTSHRMAPK1
SCHEMBL15757299 0.80 MAPK1 (0.51) LMNAPOLBTSHRMAPK1MRGPRX1
SCHEMBL14761433 0.77 TSHR (0.47) LMNAPOLBTSHRMAPK1MRGPRX1
SCHEMBL3067877 0.76 ATM (0.59) LMNATSHRMAPK1
SCHEMBL3071642 0.76 TSHR (0.48) LMNAPOLBTSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2204094-A1 Method for improved utilization of the production potential of transgenic plants Introduction Bayer CropScience AG (DE) 2010-07-07 EP disclosed