SCHEMBL5451832

SCHEMBL5451832

Cc1ccc(C(=O)NC(=S)Nc2ccc(C)cc2C)cc1

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.80
SMN1; SMN2 Q16637 6/20 0.80
ALOX12 P18054 5/20 0.80
MAPT P10636 5/20 0.80
GAA P10253 2/20 0.80
RAB9A P51151 6/20 0.74
NPC1 O15118 5/20 0.74
NPSR1 Q6W5P4 1/20 0.74
L3MBTL1 Q9Y468 1/20 0.74
EPHX1 P07099 2/20 0.60
KMT2A Q03164 6/20 0.58
LMNA P02545 3/20 0.58
KDM4E B2RXH2 1/20 0.58
MEN1 O00255 5/20 0.57
CYP1A2 P05177 1/20 0.57
TDP1 Q9NUW8 1/20 0.55

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
SCHEMBL29661164 0.90 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2ALOX12MAPTGAA
SCHEMBL2344119 0.90 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2ALOX12MAPTGAA
SCHEMBL14096476 0.85 RAB9A (1.00) ALDH1A1SMN1; SMN2ALOX12MAPTGAA
SCHEMBL12388857 0.84 TAS1R3 (0.71) ALDH1A1SMN1; SMN2ALOX12MAPTGAA
SCHEMBL5452736 0.84 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2ALOX12MAPTGAA
SCHEMBL9728573 0.83 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2ALOX12MAPTGAA
SCHEMBL11514088 0.82 NOX1 (0.63) ALDH1A1SMN1; SMN2ALOX12MAPTGAA
SCHEMBL5456687 0.81 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2ALOX12MAPTGAA
SCHEMBL18550651 0.81 EPHX1 (0.72) ALDH1A1SMN1; SMN2ALOX12MAPTGAA
SCHEMBL13454368 0.80 MEN1 (0.60) ALDH1A1SMN1; SMN2ALOX12MAPTGAA

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