SCHEMBL6850677

SCHEMBL6850677

Nc1ccc(CCNC(=O)CCl)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 1/20 0.53
ST14 Q9Y5Y6 1/20 0.51
PPID Q08752 1/20 0.51
HIF1A Q16665 1/20 0.49
CA1 P00915 4/20 0.49
CA2 P00918 4/20 0.49
LMNA P02545 1/20 0.47
CA9 Q16790 2/20 0.47
CA12 O43570 1/20 0.47
GFER P55789 1/20 0.46
HPGD P15428 1/20 0.46
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL6415918 0.85 CA1 (0.66) ESRRGST14PPIDHIF1ACA1
SCHEMBL22403771 0.85 HPGD (0.54) ESRRGST14PPIDCA1CA2
SCHEMBL6415914 0.84 ST14 (0.54) ESRRGST14PPIDHIF1ACA1
SCHEMBL19334528 0.84 ACACB (0.56) ESRRGST14PPIDCA1CA2
SCHEMBL5574769 0.83 LMNA (0.66) CA1CA2LMNACA9CA12
SCHEMBL7753239 0.83 TPSAB1 (0.53) PPIDCA1CA2LMNAHPGD
SCHEMBL2191045 0.83 KDM4E (0.65) ESRRGLMNAGFER
SCHEMBL15940162 0.82 ESRRG (0.57) ESRRGST14PPIDHIF1ACA1
SCHEMBL6413637 0.82 CA1 (0.55) ESRRGPPIDCA1CA2CA9
SCHEMBL20052590 0.81 LMNA (0.47) ST14CA1CA2LMNAHPGD

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-2289882-A1 3-oxopiperazinium derivatives as agonists of nerve growth factor and their use as medicaments Institut d'Investigacions Biomédiques August PI I Sunyer (ES) 2011-03-02 EP disclosed