SCHEMBL18937487

SCHEMBL18937487

Cc1cn(C)c(=O)n(C(C)C)c1=O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.35
ADORA2B P29275 1/20 0.35
LMNA P02545 3/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
ALDH1A1 P00352 3/20 0.34
POLB P06746 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HTT P42858 1/20 0.33
CDC25A P30304 1/20 0.33
CDC25C P30307 1/20 0.33
HPD P32754 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
BRD9 Q9H8M2 1/20 0.30
BRD7 Q9NPI1 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
SCHEMBL9117924 0.86 BRD4 (0.33) BRD4LMNAALDH1A1POLBL3MBTL1
SCHEMBL9395968 0.79 BRD4 (0.44) BRD4LMNA
SCHEMBL24616656 0.78 LMNA (0.33) LMNAMCOLN3ALDH1A1POLBL3MBTL1
SCHEMBL16503638 0.77 ADORA2B (0.34) ADORA2B
SCHEMBL19235507 0.71 BRD4 (0.36) BRD4LMNAALDH1A1POLBL3MBTL1
SCHEMBL14491564 0.71 BRD4 (0.36) BRD4LMNAALDH1A1POLBL3MBTL1
SCHEMBL11716480 0.71 BRD4 (0.34) BRD4ADORA2BLMNAALDH1A1L3MBTL1
SCHEMBL23029099 0.70 BRD4 (0.35) BRD4LMNAALDH1A1POLBL3MBTL1
SCHEMBL9972888 0.70 ALDH1A1 (0.40) BRD4ADORA2BLMNAALDH1A1POLB
SCHEMBL18937212 0.68 L3MBTL1 (0.35) BRD4LMNAALDH1A1POLBL3MBTL1

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
WO-2017093545-A1 ANTI-BACTERIAL COMPOUNDS BASED ON AMINO-GOLD PHOSPHINE COMPLEXES AUSPHERIX LIMITED (GB) 2017-06-08 WO disclosed