SCHEMBL11244003

SCHEMBL11244003

CC(C)(C)OC(=O)NCCCNC(=O)n1cc(F)c(=O)[nH]c1=O

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2D6 P10635 1/20 0.65
MAPK3 P27361 1/20 0.65
ASAH1 Q13510 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
SQOR Q9Y6N5 1/20 0.65

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
SCHEMBL11247507 0.97 ASAH1 (0.71) LMNACYP3A4CYP2D6MAPK3ASAH1
SCHEMBL9775104 0.97 ASAH1 (0.71) LMNACYP3A4CYP2D6MAPK3ASAH1
SCHEMBL11251494 0.87 LMNA (0.64) LMNACYP3A4CYP2D6MAPK3ASAH1
SCHEMBL23259029 0.87 LMNA (0.52) LMNACYP3A4CYP2D6MAPK3ASAH1
SCHEMBL17897657 0.82 LMNA (0.62) LMNACYP3A4CYP2D6MAPK3ASAH1
SCHEMBL10458638 0.81 ASAH1 (0.90) LMNACYP3A4CYP2D6MAPK3ASAH1
SCHEMBL23259039 0.81 LMNA (0.45) LMNACYP3A4CYP2D6MAPK3ASAH1
SCHEMBL17897713 0.80 LMNA (0.67) LMNACYP3A4CYP2D6MAPK3ASAH1
SCHEMBL10479248 0.79 ASAH1 (0.73) LMNACYP3A4CYP2D6MAPK3ASAH1
SCHEMBL11602950 0.79 ASAH1 (1.00) LMNACYP3A4CYP2D6MAPK3ASAH1

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
US-4349552-A TREATMENT OF CANCER FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1982-09-14 US disclosed
EP-0010941-B1 5-FLUOROURACIL DERIVATIVES, PREPARATION THEREOF AND THEIR PHARMACEUTICAL COMPOSITIONS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-05-12 EP disclosed
EP-0010941-A1 5-Fluorouracil derivatives, preparation thereof and their pharmaceutical compositions FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-05-14 EP disclosed