SCHEMBL5448102

SCHEMBL5448102

Cc1ccc(NC(=S)NC(=O)c2ccccc2C)cc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.68
MAPT P10636 5/20 0.68
ALOX12 P18054 4/20 0.68
NPSR1 Q6W5P4 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.67
HTT P42858 2/20 0.65
KMT2A Q03164 2/20 0.65
MEN1 O00255 1/20 0.65
NPC1 O15118 2/20 0.63
RAB9A P51151 2/20 0.63
KDM4E B2RXH2 2/20 0.63
POLB P06746 1/20 0.63
SIRT2 Q8IXJ6 2/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
HPGD P15428 1/20 0.60
CA1 P00915 1/20 0.58
CA9 Q16790 1/20 0.58

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
SCHEMBL5455495 0.91 ALDH1A1 (0.72) ALDH1A1MAPTALOX12NPSR1SMN1; SMN2
Hydrochloric Acid SCHEMBL3717639 0.87 ALDH1A1 (0.64) ALDH1A1MAPTALOX12NPSR1SMN1; SMN2
SCHEMBL5445679 0.86 ALDH1A1 (0.62) ALDH1A1MAPTALOX12NPSR1SMN1; SMN2
Hydrochloric Acid SCHEMBL3717635 0.85 ALDH1A1 (0.62) ALDH1A1MAPTALOX12NPSR1SMN1; SMN2
SCHEMBL13454579 0.85 ALDH1A1 (0.69) ALDH1A1MAPTALOX12NPSR1SMN1; SMN2
SCHEMBL3684485 0.84 HPGD (0.79) ALDH1A1MAPTNPSR1SMN1; SMN2HTT
SCHEMBL29519361 0.84 HPGD (0.79) ALDH1A1MAPTNPSR1SMN1; SMN2HTT
SCHEMBL18606689 0.84 CA1 (0.73) ALDH1A1MAPTALOX12NPSR1SMN1; SMN2
SCHEMBL5457898 0.81 ALDH1A1 (0.81) ALDH1A1MAPTNPSR1SMN1; SMN2KMT2A
SCHEMBL5456687 0.81 ALDH1A1 (0.67) ALDH1A1MAPTALOX12NPSR1SMN1; SMN2

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 4 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
WO-2011022393-A2 PHOSPHATIDYLCHOLINE TRANSFER PROTEIN INHIBITORS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2011-02-24 WO disclosed
CN-101129295-A 2-component initiator system (amine free) with storage stability and especially suitable for acidic systems HERAEUS KULZER GMBH (DE) 2008-02-27 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