SCHEMBL6896964

SCHEMBL6896964

CSCCC(C(=O)O)C(N)=S

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 1/20 0.50
FOLH1 Q04609 2/20 0.39
CA2 P00918 4/20 0.37
CA1 P00915 3/20 0.37
LMNA P02545 1/20 0.35
ANPEP P15144 1/20 0.34
ENPEP Q07075 1/20 0.34
ALOX15 P16050 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP1A2 P05177 1/20 0.33
ALDH1A1 P00352 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP2C19 P33261 1/20 0.33
THPO P40225 1/20 0.33
NOS2 P35228 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
SCHEMBL4956698 0.82 RNPEP (0.62) RNPEPFOLH1CA2LMNAANPEP
Racemethionine SCHEMBL3897598 0.78 BHMT (0.50) RNPEPALOX15BLMPMP22KMT2A
Methionine SCHEMBL3897605 0.78 BHMT (0.50) RNPEPALOX15BLMPMP22KMT2A
Racemethionine SCHEMBL11790284 0.76 NOS2 (0.53) RNPEPALOX15BLMPMP22KMT2A
Methionine SCHEMBL11790289 0.76 NOS2 (0.53) RNPEPALOX15BLMPMP22KMT2A
SCHEMBL9463332 0.76 RNPEP (0.56) RNPEPFOLH1CA2CA1LMNA
Racemethionine SCHEMBL27883636 0.75 RNPEP (0.50) RNPEPALOX15BLMPMP22KMT2A
Racemethionine SCHEMBL25218893 0.74 BHMT (0.55) RNPEPALOX15BLMPMP22KMT2A
Methionine SCHEMBL17926379 0.74 BHMT (0.55) RNPEPALOX15BLMPMP22KMT2A
Methionine SCHEMBL27763019 0.74 BHMT (0.55) RNPEPALOX15BLMPMP22KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1126833-A4 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES INC (US) 2004-09-08 EP claimed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP claimed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO claimed
EP-1126833-A4 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES INC (US) 2004-09-08 EP disclosed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP disclosed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO disclosed