SCHEMBL7966280

SCHEMBL7966280

Cc1cc(C)c(S(=O)(=O)Nc2ccc(CNC(=N)N(C#N)c3ccncc3)cc2)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NR2F2 P24468 1/20 0.47
HTT P42858 1/20 0.47
GAA P10253 3/20 0.44
PKM P14618 1/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
GFER P55789 1/20 0.44
NAMPT P43490 6/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 3/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ALOX12 P18054 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
SCHEMBL8220313 0.78 POLB (0.45) LMNASMN1; SMN2NR2F2HTTGAA
SCHEMBL8220319 0.76 LMNA (0.47) LMNASMN1; SMN2NR2F2HTTGAA
SCHEMBL8236007 0.73 GAA (0.43) LMNASMN1; SMN2NR2F2HTTGAA
SCHEMBL7966282 0.71 GAA (0.43) LMNASMN1; SMN2NR2F2HTTGAA
SCHEMBL8217267 0.70 KMT2A (0.35) LMNASMN1; SMN2NR2F2HTTPKM
SCHEMBL14758387 0.66 SMN1; SMN2 (1.00) LMNASMN1; SMN2NR2F2HTTGAA
SCHEMBL5960099 0.64 GAA (1.00) LMNASMN1; SMN2HTTGAAPOLB
SCHEMBL3557383 0.62 MAPT (0.67) SMN1; SMN2GAAPOLBTSHRGFER
SCHEMBL8195511 0.61 HTT (0.55) LMNASMN1; SMN2HTTPKMPOLB
SCHEMBL94670 0.61 GAA (0.71) LMNASMN1; SMN2HTTGAAPOLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6255323-B1 Cyanoguanidine compounds SHIONOGI BIORESEARCH CORP. 2001-07-03 US claimed
WO-2000061561-A1 CYANOGUANIDINE COMPOUNDS SHIONOGI BIORESEARCH CORP. (US) 2000-10-19 WO claimed
US-6255323-B1 Cyanoguanidine compounds SHIONOGI BIORESEARCH CORP. 2001-07-03 US disclosed