SCHEMBL7297399

SCHEMBL7297399

N=C(N)Nc1nc(C(=O)O)cs1.[NaH]

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.63
POLB P06746 2/20 0.43
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
KDM1A O60341 2/20 0.38
KDM4E B2RXH2 1/20 0.37
PLA2G4A P47712 1/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL6881657 0.98 L3MBTL1 (0.65) L3MBTL1POLBALDH1A1MEN1MAPT
Water SCHEMBL7146996 0.97 L3MBTL1 (0.63) L3MBTL1POLBALDH1A1MEN1MAPT
Hydrochloric Acid SCHEMBL6736638 0.97 L3MBTL1 (0.63) L3MBTL1POLBALDH1A1MEN1MAPT
SCHEMBL7136797 0.86 L3MBTL1 (0.49) L3MBTL1MAPTKMT2ACYP1A2CYP2C19
SCHEMBL7136791 0.85 L3MBTL1 (0.47) L3MBTL1MAPTKMT2ACYP1A2CYP2C19
SCHEMBL7297404 0.82 L3MBTL1 (0.45) L3MBTL1MAPTKMT2ACYP1A2CYP2C19
SCHEMBL10852230 0.82 L3MBTL1 (0.45) L3MBTL1ALDH1A1MAPTCYP1A2CYP2C19
SCHEMBL10856836 0.81 L3MBTL1 (0.44) L3MBTL1MAPTCYP1A2CYP2C19NPC1
SCHEMBL10975815 0.80 L3MBTL1 (0.46) L3MBTL1ALDH1A1MEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL10856278 0.80 L3MBTL1 (0.43) L3MBTL1MAPTKMT2ACYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0928793-B1 Thiazole derivatives HOFFMANN LA ROCHE (CH) 2002-05-15 EP disclosed
US-6001855-A REACTING A THIAZOLE DERIVATIVE AND A CYCLIC AMINE DERIVATIVE; INHIBITS BINDING OF ADHESIVE PROTEINS TO THE SURFACE OF DIFFERENT TYPES OF CELL AND ACCORDINGLY INFLUENCE CELL-CELL AND CELL-MATRIX INTERACTIONS HOFFMAN-LA ROCHE INC. (US) 1999-12-14 US disclosed
EP-0928793-A1 Thiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-07-14 EP disclosed