SCHEMBL5452833

SCHEMBL5452833

COc1ccc(OC)c(NC(=S)Nc2cc(Cl)c(OC)cc2OC)c1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.64
MAPT P10636 8/20 0.64
HPGD P15428 4/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
LMNA P02545 2/20 0.64
GAA P10253 2/20 0.59
POLB P06746 2/20 0.59
HTT P42858 2/20 0.58
KDM4E B2RXH2 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.54
TDP1 Q9NUW8 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
SCHEMBL5450055 0.80 ALDH1A1 (0.68) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL5450035 0.80 ALDH1A1 (0.67) ALDH1A1MAPTHPGDKMT2ALMNA
SCHEMBL6815078 0.79 MAPT (0.62) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL6814781 0.79 ALDH1A1 (0.66) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL6811941 0.79 ALDH1A1 (0.74) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL6811057 0.79 MAPT (0.71) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL6811000 0.79 ALDH1A1 (0.63) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL6814960 0.78 ALDH1A1 (0.66) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL6815156 0.78 ALDH1A1 (0.66) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL5450418 0.78 ALDH1A1 (0.79) ALDH1A1MAPTHPGDMEN1KMT2A

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