SCHEMBL9939474

SCHEMBL9939474

Cc1ccc(CN/C(=N/C(=O)c2ccc(Cl)cc2)Nc2cccc(NS(=O)(=O)c3cccnc3)n2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 10/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
TRPV1 Q8NER1 3/20 0.36
SNCA P37840 1/20 0.36
IDH1 O75874 1/20 0.36
HSD11B1 P28845 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL16621988 0.94 NAMPT (0.40) NAMPTSNCA
SCHEMBL16621987 0.82 NAMPT (0.42) NAMPTSMN1; SMN2SNCAHSD11B1L3MBTL1
SCHEMBL9939770 0.80 RXFP1 (0.38) TRPV1IDH1
SCHEMBL9939466 0.79 GRM4 (0.38) SMN1; SMN2IDH1
SCHEMBL9938594 0.79 NAMPT (0.41) NAMPTSMN1; SMN2SNCA
SCHEMBL9939397 0.79 IDH1 (0.40) TRPV1IDH1
SCHEMBL9939441 0.79 LMNA (0.42) SMN1; SMN2
SCHEMBL9938519 0.77 VNN1 (0.37) TRPV1IDH1
SCHEMBL16621983 0.77 IDH1 (0.39) IDH1
SCHEMBL9939678 0.75 ROCK2 (0.41)

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
WO-2012078869-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORPORATION (US) 2012-06-14 WO disclosed