SCHEMBL5456725

SCHEMBL5456725

CC(=O)c1cccc(NC(=S)Nc2cccc(C(C)=O)c2)c1

nearest known ligand 0.83

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.83
GAA P10253 4/20 0.79
HPGD P15428 7/20 0.73
SMN1; SMN2 Q16637 7/20 0.73
NPC1 O15118 7/20 0.73
RAB9A P51151 7/20 0.73
ALOX12 P18054 2/20 0.73
LMNA P02545 5/20 0.72
MAPT P10636 1/20 0.72
KMT2A Q03164 4/20 0.71
MEN1 O00255 2/20 0.71
STAT1 P42224 1/20 0.68
CYP1A2 P05177 1/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66

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
SCHEMBL6010241 0.91 ALDH1A1 (1.00) ALDH1A1GAAHPGDSMN1; SMN2NPC1
SCHEMBL6816600 0.89 GAA (0.74) ALDH1A1GAAHPGDSMN1; SMN2NPC1
SCHEMBL28879978 0.89 ALDH1A1 (0.72) ALDH1A1GAAHPGDSMN1; SMN2NPC1
SCHEMBL6816592 0.87 GAA (0.72) ALDH1A1GAAHPGDSMN1; SMN2NPC1
SCHEMBL5457306 0.87 HPGD (0.74) ALDH1A1GAAHPGDSMN1; SMN2NPC1
SCHEMBL1884508 0.85 ALDH1A1 (0.73) ALDH1A1GAAHPGDSMN1; SMN2NPC1
SCHEMBL5340030 0.84 MEN1 (0.89) ALDH1A1GAASMN1; SMN2NPC1RAB9A
SCHEMBL474709 0.84 KMT2A (0.70) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL4102809 0.82 KMT2A (0.73) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL5462181 0.82 GAA (0.68) ALDH1A1GAAHPGDSMN1; SMN2NPC1

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