SCHEMBL1616405

SCHEMBL1616405

Cn1cnc(S(=O)(=O)Nc2cccc3nc(N[C@@H]4CCc5ccccc54)ccc23)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 1/20 0.45
SLC6A9 P48067 3/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
PIK3CG P48736 9/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PIK3CD O00329 1/20 0.38

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
SCHEMBL2242607 0.80 GBA1 (0.40) KDM4EGAALMNAALOX15TSHR
SCHEMBL1616346 0.79 MEN1 (0.46) GLO1KDM4EGAAKMT2ALMNA
SCHEMBL3844986 0.79 PDPK1 (0.47)
SCHEMBL1615546 0.79 SCN1A (0.41) KDM4EGAAKMT2ALMNAALOX15
SCHEMBL1616265 0.79 SCN1A (0.41) KDM4EGAALMNAALOX15TSHR
SCHEMBL2926162 0.79 SCN1A (0.41) KDM4EGAAKMT2ALMNAALOX15
SCHEMBL2919481 0.79 SCN1A (0.41) KDM4EGAALMNAALOX15TSHR
SCHEMBL1615434 0.77 NFKBIA (0.42) L3MBTL1KMT2ALMNAALOX15SMN1; SMN2
SCHEMBL1616159 0.75 PRKCQ (0.39) KDM4EGAAKMT2ALMNAALOX15
SCHEMBL1616691 0.75 PFKFB3 (0.39) KDM4ELMNAALOX15TSHRSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7923561-B2 Quinolines HOFFMANN-LA ROCHE INC. (US) 2011-04-12 US claimed
US-7923561-B2 Quinolines HOFFMANN-LA ROCHE INC. (US) 2011-04-12 US disclosed