SCHEMBL11852015

SCHEMBL11852015

COC(=O)N(C(N)=O)C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
F2 P00734 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30
TSHR P16473 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
SCHEMBL1583473 0.81 ALDH1A1 (0.44) ALDH1A1KEAP1NFE2L2HCAR2TSHR
SCHEMBL9978408 0.78 TAS2R38 (0.35) ALDH1A1
SCHEMBL11341990 0.78 ALDH1A1 (0.32) ALDH1A1
SCHEMBL28679715 0.74
SCHEMBL11579030 0.73 ALDH1A1 (0.44) ALDH1A1KEAP1NFE2L2HCAR2TSHR
SCHEMBL20630265 0.72
SCHEMBL11797914 0.72
SCHEMBL3056862 0.69 LMNA (0.46) ALDH1A1LMNAALOX15BLMPMP22
SCHEMBL7778538 0.69 ALDH1A1 (0.39) ALDH1A1KEAP1NFE2L2HCAR2TSHR
SCHEMBL27737330 0.69

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
US-3983116-A Herbicidal triazines E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-09-28 US disclosed