SCHEMBL21496986

SCHEMBL21496986

CCCCCCCCNC(CC)C(=O)c1ccc(SC)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.40
XBP1 P17861 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ABCB11 O95342 1/20 0.40
ALDH1A1 P00352 1/20 0.40
EGFR P00533 1/20 0.40
ESR1 P03372 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
FYN P06241 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CYP3A4 P08684 1/20 0.40
HTR1A P08908 1/20 0.40

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
SCHEMBL25849737 0.76 NOD1 (0.51) SMN1; SMN2
SCHEMBL7081523 0.76 NOD1 (0.51) SMN1; SMN2
SCHEMBL11423050 0.76 NOD1 (0.51) SMN1; SMN2
SCHEMBL25244993 0.76 NOD1 (0.51) SMN1; SMN2
SCHEMBL19750215 0.76 NOD1 (0.51) SMN1; SMN2
SCHEMBL25305503 0.76 NOD1 (0.51) SMN1; SMN2
SCHEMBL5309803 0.74 NOD1 (0.49) SMN1; SMN2MAPK1CA2
SCHEMBL7884174 0.73 TAS1R3 (0.49) TAS1R3TAS1R1LMNANPSR1CHRM2
Bromide SCHEMBL11457639 0.72 LMNA (0.57) SMN1; SMN2LMNAL3MBTL1MEN1XBP1
SCHEMBL11448677 0.71 SLC6A4 (0.56) SMN1; SMN2LMNAMEN1XBP1KMT2A

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-2019204764-A1 COMPOSITIONS AND METHODS OF USE THEREOF FOR TREATMENT OF PROTEINOPATHIES WASHINGTON UNIVERSITY (US) 2019-10-24 WO disclosed