SCHEMBL5454882

SCHEMBL5454882

CCCNC(=S)Nc1cc(OC)ccc1OC

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.69
MAPT P10636 3/20 0.65
SMN1; SMN2 Q16637 4/20 0.64
TDP1 Q9NUW8 1/20 0.64
HPGD P15428 4/20 0.60
POLB P06746 2/20 0.59
GAA P10253 2/20 0.59
HTT P42858 2/20 0.54
ALOX12 P18054 1/20 0.54
RECQL P46063 1/20 0.54

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
SCHEMBL21814747 0.83 HPGD (0.53) ALDH1A1MAPTSMN1; SMN2HPGDPOLB
SCHEMBL5450035 0.80 ALDH1A1 (0.67) ALDH1A1MAPTSMN1; SMN2TDP1HPGD
SCHEMBL5695271 0.77 ALDH1A1 (0.72) ALDH1A1MAPTSMN1; SMN2HPGDPOLB
SCHEMBL5663443 0.77 KMT2A (0.51) ALDH1A1MAPTSMN1; SMN2HPGDGAA
SCHEMBL5450418 0.75 ALDH1A1 (0.79) ALDH1A1MAPTSMN1; SMN2TDP1HPGD
SCHEMBL29752141 0.75 ALDH1A1 (0.60) ALDH1A1MAPTSMN1; SMN2TDP1HPGD
SCHEMBL4141161 0.75 ALDH1A1 (0.60) ALDH1A1MAPTSMN1; SMN2TDP1HPGD
SCHEMBL21815078 0.75 GAA (0.47) SMN1; SMN2HPGDPOLBGAAHTT
SCHEMBL5448159 0.75 ALDH1A1 (0.66) ALDH1A1MAPTTDP1HPGDPOLB
SCHEMBL11793713 0.74 POLB (0.73) ALDH1A1MAPTPOLBGAAHTT

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-20070040151-A1 Two-component initiator system (amine-free) with very good storage stability and particular suitability for acid systems HERAEUS KULZER GMBH (DE) 2007-02-22 US disclosed