SCHEMBL879548

SCHEMBL879548

CCCNC(=O)N(N=O)c1ccccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.41
▸ ESR1 P03372 2/20 0.39
▸ POLB P06746 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HTT P42858 2/20 0.37
▸ PTGES O14684 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35

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
SCHEMBL879555 0.81 HPGD (0.44) HPGDESR1POLBTHRBRECQL
SCHEMBL11784631 0.70 HPGD (0.54) HPGDPOLBHTTALDH1A1TP53
SCHEMBL16882672 0.69 HTT (0.38) HPGDESR1POLBTHRBRECQL
SCHEMBL2736489 0.68 ALDH1A1 (0.43) HPGDESR1POLBHTTALDH1A1
SCHEMBL10792384 0.67 HPGD (0.81) HPGDPOLBTHRBRECQLTDP1
SCHEMBL14963062 0.67 RAB9A (0.44) HPGDPOLBPTGESALDH1A1TP53
SCHEMBL23723514 0.67 HPGD (0.39) HPGDESR1POLBHTTALDH1A1
SCHEMBL13543371 0.66 RAB9A (0.47) HPGDPOLBTHRBRECQLTDP1
SCHEMBL10289215 0.65 ALDH1A1 (0.57) HPGDPOLBTHRBRECQLTDP1
SCHEMBL28992840 0.65 KMT2A (0.48) HPGDPOLBHTTPTGESALDH1A1

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-2434008-A1 Laccases for pulp bio-bleaching Verenium Corporation (US) 2012-03-28 — — EP disclosed
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