SCHEMBL22019402

SCHEMBL22019402

CCn1c(SCC(N)=O)nnc1C1CC=CS1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
HSD17B10 Q99714 2/20 0.45
CYP2C19 P33261 2/20 0.43
POLB P06746 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL22019396 0.86 LMNA (0.49) SMN1; SMN2HSD17B10POLBCYP3A4KDM4E
SCHEMBL22019392 0.81 SMN1; SMN2 (0.34) SMN1; SMN2CYP2C19POLBCYP1A2CYP3A4
SCHEMBL22019404 0.81 SMN1; SMN2 (0.34) SMN1; SMN2HSD17B10CYP2C19POLBCYP1A2
SCHEMBL22019395 0.80 SMN1; SMN2 (0.33) SMN1; SMN2CYP2C19POLBCYP1A2CYP3A4
SCHEMBL22018538 0.77 SMN1; SMN2 (0.46) SMN1; SMN2HSD17B10CYP2C19POLBCYP1A2
SCHEMBL22019622 0.74 CYP2C19 (0.45) SMN1; SMN2HSD17B10CYP2C19POLBCYP1A2
SCHEMBL22018990 0.73 SMN1; SMN2 (0.47) SMN1; SMN2HSD17B10CYP2C19POLBCYP1A2
SCHEMBL22019633 0.70 SMN1; SMN2 (0.44) SMN1; SMN2HSD17B10CYP2C19POLBCYP1A2
SCHEMBL22019391 0.68 ALDH1A1 (0.74) SMN1; SMN2HSD17B10CYP2C19POLBCYP1A2
SCHEMBL22019621 0.67 ALDH1A1 (0.73) SMN1; SMN2HSD17B10KDM4EALDH1A1L3MBTL1

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-3653054-A1 COMPOSITION FOR INHIBITION OF INSECT SENSING Vanderbilt University (US) 2020-05-20 EP disclosed