SCHEMBL11273994

SCHEMBL11273994

N[C@@H](C(=O)O)c1csc(NC(=O)OCC(Cl)(Cl)Cl)n1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 8/20 0.36
MAPT P10636 3/20 0.35
MAPK14 Q16539 1/20 0.35
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
PDE1A P54750 3/20 0.33
PDE1B Q01064 3/20 0.33
PDE1C Q14123 3/20 0.33
KMT2A Q03164 1/20 0.32
PKM P14618 1/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL11273505 1.00 PDE5A (0.36) PDE5AMAPTMAPK14TSHRMAPK1
SCHEMBL11261101 0.89 MAPT (0.37) PDE5AMAPTMAPK14TSHRMAPK1
SCHEMBL11261107 0.89 MAPT (0.37) PDE5AMAPTMAPK14TSHRMAPK1
SCHEMBL9075797 0.86 PDE5A (0.37) PDE5AMAPTTSHRMAPK1SMN1; SMN2
SCHEMBL9075964 0.85 PDE5A (0.36) PDE5AMAPTTSHRMAPK1SMN1; SMN2
SCHEMBL10425304 0.82 PDE5A (0.37) PDE5AMAPTMAPK14TSHRMAPK1
SCHEMBL11005943 0.81 MAPT (0.35) PDE5AMAPTTSHRMAPK1SMN1; SMN2
SCHEMBL11264705 0.80 PI4KB (0.38) PDE5AMAPTTSHRMAPK1SMN1; SMN2
SCHEMBL11564970 0.80 MAPK1 (0.52) PDE5AMAPK14MAPK1SMN1; SMN2NPC1
SCHEMBL9076346 0.80 MAPT (0.35) PDE5AMAPTTSHRMAPK1SMN1; 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
US-4313945-A 7-Thiazolyl-acetamido-cephem derivatives with terminal aminocarboxylic acid grouping CIBA-GEIGY CORPORATION (US) 1982-02-02 US disclosed