SCHEMBL9570543

SCHEMBL9570543

O=C(O)[C@@H]1CC(Oc2cccnc2)CN1C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
GRIN2B Q13224 2/20 0.45
GRIN1 Q05586 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
EPHX2 P34913 1/20 0.41

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
SCHEMBL9570545 1.00 LMNA (0.46) LMNAKMT2ATDP1HRH3GRIN2B
SCHEMBL8999784 0.90 MMP2 (0.45) LMNAKMT2ATDP1HRH3GRIN2B
SCHEMBL7020560 0.90 MMP2 (0.45) LMNAKMT2ATDP1HRH3GRIN2B
SCHEMBL7392695 0.90 MMP2 (0.45) LMNAKMT2ATDP1HRH3GRIN2B
SCHEMBL2299502 0.89 NPC1 (0.46)
SCHEMBL25357075 0.84 HRH3 (0.43) HRH3GRIN2BGRIN1EPHX2
SCHEMBL7338869 0.83 MCL1 (0.47)
SCHEMBL7338874 0.83 MCL1 (0.47)
SCHEMBL11256639 0.82 LMNA (0.49) LMNAKMT2ATDP1GRIN2BCYP3A4
SCHEMBL7346785 0.82 AGTR2 (0.46) HRH3GRIN2BGRIN1

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
EP-0573271-A1 Angiotensin II antagonists ELI LILLY AND COMPANY (US) 1993-12-08 EP disclosed