SCHEMBL20458747

SCHEMBL20458747

Cn1cc(C(=O)C(=O)NC(C)(C)C)c(F)c1C=O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
NPC1 O15118 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL17838289 0.79 POLB (0.36) POLBAPEX1NPC1HTTRAB9A
SCHEMBL19881944 0.75 BRD4 (0.39) ALDH1A1
SCHEMBL28854915 0.71 POLB (0.34) POLBAPEX1NPC1HTTRAB9A
SCHEMBL28854899 0.69 POLB (0.36) POLBAPEX1NPC1HTTRAB9A
SCHEMBL20458728 0.68 ATM (0.48) SMN1; SMN2
SCHEMBL16416854 0.68 SMN1; SMN2 (0.33) NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL28194798 0.67 HTT (0.38) POLBAPEX1NPC1HTTRAB9A
SCHEMBL28194841 0.66 POLB (0.40) POLBAPEX1NPC1HTTRAB9A
SCHEMBL16417232 0.65 NR4A2 (0.35) POLBAPEX1
SCHEMBL21408397 0.65 KDM4E (0.35) ALDH1A1SMN1; 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
EP-3357906-A1 GLYOXAMIDE SUBSTITUTED PYRROLAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B Janssen Sciences Ireland UC (IE) 2018-08-08 EP disclosed