SCHEMBL17844701

SCHEMBL17844701

CC=CC(=O)Nc1nccs1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.79
LMNA P02545 3/20 0.62
MAPT P10636 2/20 0.62
HTT P42858 2/20 0.62
SMN1; SMN2 Q16637 9/20 0.61
NPC1 O15118 8/20 0.61
ALDH1A1 P00352 4/20 0.61
KDM4E B2RXH2 3/20 0.61
NFKB1 P19838 2/20 0.61
NFKB2 Q00653 2/20 0.61
RELA Q04206 2/20 0.61
TP53 P04637 2/20 0.61
KMT2A Q03164 2/20 0.61
GAA P10253 1/20 0.58
HPGD P15428 2/20 0.58
MEN1 O00255 1/20 0.55
POLB P06746 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
PTGS2 P35354 2/20 0.54

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
SCHEMBL32690316 0.83 RAB9A (0.66) RAB9ALMNAMAPTHTTSMN1; SMN2
SCHEMBL19974151 0.83 RAB9A (0.66) RAB9ALMNAMAPTHTTSMN1; SMN2
SCHEMBL19974134 0.83 RAB9A (0.66) RAB9ALMNAMAPTHTTSMN1; SMN2
SCHEMBL23657159 0.82 LMNA (0.74) RAB9ALMNAMAPTHTTSMN1; SMN2
SCHEMBL3953238 0.82 RAB9A (0.64) RAB9ALMNAMAPTHTTSMN1; SMN2
SCHEMBL3953235 0.82 RAB9A (0.64) RAB9ALMNAMAPTHTTSMN1; SMN2
SCHEMBL19981472 0.81 RAB9A (0.63) RAB9ALMNAMAPTHTTSMN1; SMN2
SCHEMBL30271553 0.81 RAB9A (0.63) RAB9ALMNAMAPTHTTSMN1; SMN2
SCHEMBL19974421 0.81 LMNA (0.68) RAB9ALMNAMAPTHTTSMN1; SMN2
SCHEMBL23647322 0.81 RAB9A (0.62) RAB9ALMNAMAPTHTTSMN1; SMN2

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-2016100515-A1 CYCLIC COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. (US) 2016-06-23 WO disclosed