SCHEMBL5450035

SCHEMBL5450035

CNC(=S)Nc1cc(OC)ccc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.67
HPGD P15428 4/20 0.67
GAA P10253 3/20 0.67
POLB P06746 2/20 0.67
MAPT P10636 2/20 0.67
SMN1; SMN2 Q16637 3/20 0.60
HTT P42858 2/20 0.60
TDP1 Q9NUW8 1/20 0.60
LMNA P02545 1/20 0.59
TP53 P04637 1/20 0.56
KMT2A Q03164 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
KCNH2 Q12809 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
SCHEMBL11546965 0.87 ALDH1A1 (0.84) ALDH1A1HPGDGAAMAPTSMN1; SMN2
SCHEMBL5450418 0.81 ALDH1A1 (0.79) ALDH1A1HPGDGAAPOLBMAPT
SCHEMBL4141161 0.81 ALDH1A1 (0.60) ALDH1A1HPGDGAAPOLBMAPT
SCHEMBL29752141 0.81 ALDH1A1 (0.60) ALDH1A1HPGDGAAPOLBMAPT
SCHEMBL5454882 0.80 ALDH1A1 (0.69) ALDH1A1HPGDGAAPOLBMAPT
SCHEMBL5452833 0.80 ALDH1A1 (0.64) ALDH1A1HPGDGAAPOLBMAPT
SCHEMBL19278117 0.80 ALDH1A1 (0.80) ALDH1A1HPGDGAAPOLBMAPT
SCHEMBL14338700 0.80 MAPT (0.68) ALDH1A1HPGDGAAPOLBMAPT
SCHEMBL11542802 0.79 ALDH1A1 (0.57) ALDH1A1HPGDGAAPOLBMAPT
SCHEMBL3047473 0.78 KMT2A (0.54) ALDH1A1HPGDGAAPOLBMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101129295-B There is the binary initiator system of good storage stability and especially suitable for acidic system HERAEUS KULZER GMBH (DE) 2016-02-10 CN disclosed
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