SCHEMBL9075797

SCHEMBL9075797

O=C(Nc1nc(C(O)C(=O)O)cs1)OCC(Cl)(Cl)Cl

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 9/20 0.37
MAPT P10636 3/20 0.36
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
PDE1A P54750 4/20 0.33
PDE1B Q01064 4/20 0.33
PDE1C Q14123 4/20 0.33
KMT2A Q03164 1/20 0.33
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
SCHEMBL9075964 0.86 PDE5A (0.36) PDE5AMAPTTSHRMAPK1SMN1; SMN2
SCHEMBL11273994 0.86 PDE5A (0.36) PDE5AMAPTTSHRMAPK1SMN1; SMN2
SCHEMBL11273505 0.86 PDE5A (0.36) PDE5AMAPTTSHRMAPK1SMN1; SMN2
SCHEMBL11005943 0.84 MAPT (0.35) PDE5AMAPTTSHRMAPK1SMN1; SMN2
SCHEMBL10425304 0.83 PDE5A (0.37) PDE5AMAPTTSHRMAPK1SMN1; SMN2
SCHEMBL9076346 0.83 MAPT (0.35) PDE5AMAPTTSHRMAPK1SMN1; SMN2
SCHEMBL4256337 0.81 CSNK2A2 (0.46) PDE5AMAPTTSHRMAPK1SMN1; SMN2
SCHEMBL11264705 0.81 PI4KB (0.38) PDE5AMAPTTSHRMAPK1SMN1; SMN2
SCHEMBL11261101 0.81 MAPT (0.37) PDE5AMAPTTSHRMAPK1SMN1; SMN2
SCHEMBL11261107 0.81 MAPT (0.37) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5583216-A Methods for the manufacture of cephems TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-10 US disclosed
US-4973684-A Cephem compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-11-27 US disclosed
US-4912212-A Cephem compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-03-27 US disclosed
US-4514565-A Thiazolylacetamido cephalosphorin compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-04-30 US disclosed
US-4355160-A Thiazolylacetamido cephalosporin type compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-10-19 US disclosed
US-4298606-A Thiazolylacetamido compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-11-03 US disclosed
US-4205180-A CHEMICAL INTERMEDIATES FOR NOVEL CEPHALOSPORIN COMPOUNDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1980-05-27 US disclosed
US-4203899-A Thiazolylacetamido compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1980-05-20 US disclosed
US-4098888-A THIAZOLYLACETAMIDO CEPHALOSPORIN TYPE COMPOUNDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1978-07-04 US disclosed