SCHEMBL9868330

SCHEMBL9868330

CCOC(=O)CCN(C(N)=S)c1ccc2nonc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 4/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
PDE3B Q13370 2/20 0.34
PDE3A Q14432 2/20 0.34
P2RY12 Q9H244 2/20 0.34
HPGD P15428 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
SHMT2 P34897 1/20 0.33
PKM P14618 1/20 0.33
TNF P01375 1/20 0.33
GLA P06280 1/20 0.33
CYSLTR2 Q9NS75 2/20 0.33
CYSLTR1 Q9Y271 2/20 0.33
RIPK2 O43353 1/20 0.33
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33

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
SCHEMBL9877022 0.76 SMN1; SMN2 (0.40) SMN1; SMN2MAPTHPGDKDM4EALDH1A1
SCHEMBL9867945 0.67 SMN1; SMN2 (0.50) SMN1; SMN2HPGDKDM4EALDH1A1GAA
SCHEMBL1419962 0.64 CA12 (0.56) SMN1; SMN2MAPTHPGDKDM4EALDH1A1
SCHEMBL850295 0.64 SMN1; SMN2 (0.43) SMN1; SMN2MAPTHPGDALDH1A1TNF
SCHEMBL1120541 0.63 SMN1; SMN2 (0.51) SMN1; SMN2MAPTHPGDKDM4EALDH1A1
SCHEMBL28400515 0.63 SMN1; SMN2 (0.71) SMN1; SMN2ALDH1A1GLANPC1RAB9A
SCHEMBL8911435 0.62 SMN1; SMN2 (0.54) SMN1; SMN2MAPTPPARGALDH1A1GAA
SCHEMBL31318741 0.62 SMN1; SMN2 (0.54) SMN1; SMN2MAPTPPARAHPGDKDM4E
SCHEMBL6860586 0.62 SMN1; SMN2 (0.54) SMN1; SMN2MAPTKDM4EALDH1A1GAA
SCHEMBL3044572 0.61 SMN1; SMN2 (0.43) SMN1; SMN2MAPTHPGDALDH1A1MAPK1

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-4997667-A Pyridinyl compounds of N-carbamoyl-N-thiocarbamoyl- or N-amidino-glycine or beta-alanine useful as sweetening agents UNIVERSITE CLAUDE BERNARD (FR) 1991-03-05 US disclosed
EP-0321369-A1 Heterocyclic sweeteners derived from N-carbamoyl-, N-thiocarbamoyl or N-amidino-glycine or beta-alanine UNIVERSITE CLAUDE BERNARD - LYON 1 (FR) 1989-06-21 EP disclosed