SCHEMBL6780333

SCHEMBL6780333

O=C1C=C(O)C(=O)N1N1C(=O)CCC1=O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL28533700 0.75 CA12 (0.35) ALDH1A1HTT
SCHEMBL19583420 0.74 CA12 (0.32) ALDH1A1HTT
SCHEMBL558683 0.71 ALDH1A1 (0.42) ALDH1A1HTT
SCHEMBL28518185 0.70 MEN1 (0.31) ALDH1A1MEN1LMNAMAPTKMT2A
SCHEMBL1524563 0.69 MEN1 (0.31) ALDH1A1HTTMEN1LMNAKMT2A
SCHEMBL9821807 0.68 HIF1A (0.37) ALDH1A1MEN1LMNAMAPTKMT2A
SCHEMBL2308600 0.67 ALDH1A1 (0.39) ALDH1A1HTTLMNAMAPT
Cyclopentane SCHEMBL28946144 0.64 GSK3A (0.35) ALDH1A1MAPT
Acetic Acid SCHEMBL4526905 0.62 CA12 (0.34) ALDH1A1HTTLMNAMAPTKMT2A
SCHEMBL2902268 0.60 ALDH1A1 (0.34) ALDH1A1HTT

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-6696475-B2 N-PHENYL-N'-(2-CARBOXYPHENYL) UREA, FOR EXAMPLE; CHLORIDE CHANNEL BLOCKERS; SUCH AS FOR TREATING BONE METABOLIC DISORDERS NEUROSEARCH A/S (DK) 2004-02-24 US claimed