SCHEMBL22019385

SCHEMBL22019385

CCn1c(SCC(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccc(-c4nnc(SCC(=O)Nc5ccc(S(C)(=O)=O)cc5)n4CC)o3)cc2)nnc1-c1ccco1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.62
HSD17B10 Q99714 3/20 0.55
KMT2A Q03164 3/20 0.55
MAPT P10636 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
USP2 O75604 2/20 0.55
LMNA P02545 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
ALDH1A1 P00352 5/20 0.54
ALOX15 P16050 1/20 0.54
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
HPGD P15428 1/20 0.52
MAPK1 P28482 3/20 0.51
MEN1 O00255 2/20 0.51
TSHR P16473 1/20 0.51
TP53 P04637 1/20 0.49

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
SCHEMBL13832303 0.88 POLB (0.80) POLBHSD17B10KMT2AMAPTSMN1; SMN2
SCHEMBL13832292 0.85 POLB (0.76) POLBHSD17B10KMT2AMAPTSMN1; SMN2
SCHEMBL13831406 0.77 POLB (0.86) POLBHSD17B10KMT2AMAPTSMN1; SMN2
SCHEMBL13832282 0.77 POLB (0.79) POLBHSD17B10KMT2AMAPTSMN1; SMN2
SCHEMBL15986592 0.77 POLB (0.82) POLBHSD17B10KMT2AMAPTSMN1; SMN2
SCHEMBL13832280 0.77 POLB (0.64) POLBHSD17B10KMT2AMAPTSMN1; SMN2
SCHEMBL15986441 0.76 POLB (0.83) POLBHSD17B10KMT2AMAPTSMN1; SMN2
SCHEMBL13832309 0.76 POLB (0.83) POLBHSD17B10KMT2AMAPTSMN1; SMN2
SCHEMBL13831430 0.75 POLB (0.82) POLBHSD17B10KMT2AMAPTSMN1; SMN2
SCHEMBL4198470 0.75 MAPT (0.69) POLBHSD17B10KMT2AMAPTUSP2

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
EP-2704575-B1 COMPOSITION FOR INHIBITION OF INSECT SENSING UNIV VANDERBILT (US) 2020-06-03 EP disclosed
EP-3653054-A1 COMPOSITION FOR INHIBITION OF INSECT SENSING Vanderbilt University (US) 2020-05-20 EP disclosed