SCHEMBL11629641

SCHEMBL11629641

CCOC(=S)[C@@H](C)Cc1nc(-c2ccccc2)no1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.51
TDP1 Q9NUW8 4/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KMT2A Q03164 2/20 0.50
NOTUM Q6P988 1/20 0.50
TSHR P16473 7/20 0.47
MAPK1 P28482 5/20 0.47
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
MAPT P10636 4/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 1/20 0.47
HTR1A P08908 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
NR2F2 P24468 1/20 0.46

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
SCHEMBL11625604 0.84 NOTUM (0.58) SMN1; SMN2TDP1NPSR1KMT2ANOTUM
Hydrochloric Acid SCHEMBL11626261 0.84 NOTUM (0.44) SMN1; SMN2TDP1NPSR1KMT2ANOTUM
SCHEMBL11624556 0.81 KMT2A (0.50) SMN1; SMN2KMT2ATSHRMAPK1MAPT
Potassium Ion SCHEMBL11628010 0.81 NOTUM (0.54) SMN1; SMN2TDP1NPSR1KMT2ANOTUM
SCHEMBL11625598 0.76 NOTUM (0.55) SMN1; SMN2TDP1NPSR1KMT2ANOTUM
SCHEMBL10130651 0.76 NOTUM (0.62) SMN1; SMN2TDP1NPSR1KMT2ANOTUM
Trolamine SCHEMBL11628401 0.76 NOTUM (0.51) SMN1; SMN2TDP1NPSR1NOTUMTSHR
Potassium Ion SCHEMBL11628009 0.75 NOTUM (0.54) SMN1; SMN2TDP1NPSR1KMT2ANOTUM
SCHEMBL11625035 0.75 ALDH1A1 (0.62) TDP1NPSR1KMT2ANOTUMTSHR
SCHEMBL11629638 0.75 TSHR (0.50) SMN1; SMN2TDP1NPSR1NOTUMTSHR

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
US-4067988-A 3-Phenyl-1,2,4-oxadiazole derivatives as antiinflammatory-antitussive agents LABORATOIRES CASSENNE (FR) 1978-01-10 US claimed
US-4067988-A 3-Phenyl-1,2,4-oxadiazole derivatives as antiinflammatory-antitussive agents LABORATOIRES CASSENNE (FR) 1978-01-10 US disclosed