SCHEMBL5456442

SCHEMBL5456442

Cc1ccoc1C(=O)NC(=S)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.58
RXFP1 Q9HBX9 1/20 0.58
ALDH1A1 P00352 8/20 0.56
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
LMNA P02545 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
GAA P10253 6/20 0.56
MAPT P10636 5/20 0.56
TDP1 Q9NUW8 3/20 0.56
NPSR1 Q6W5P4 5/20 0.55
ALOX12 P18054 4/20 0.55
CCR6 P51684 2/20 0.55
POLB P06746 1/20 0.55
KDM4E B2RXH2 1/20 0.53
XBP1 P17861 1/20 0.53
USP2 O75604 1/20 0.52
TSHR P16473 1/20 0.52
HTT P42858 1/20 0.52
IDO1 P14902 1/20 0.51

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
SCHEMBL5456707 0.86 MEN1 (0.51) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL14096561 0.78 MEN1 (0.59) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL5452802 0.77 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL14096446 0.77 ALDH1A1 (0.69) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL5449907 0.77 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL5453556 0.76 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL5447964 0.76 GRM1 (0.51) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL14096364 0.76 ALDH1A1 (0.62) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL4362081 0.75 MEN1 (0.49) SMN1; SMN2RXFP1ALDH1A1MEN1KMT2A
SCHEMBL5452558 0.74 EPHX1 (0.56) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA

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