SCHEMBL7966282

SCHEMBL7966282

Cc1cc(C)c(S(=O)(=O)Nc2ccc(CN(C#N)C(N)=Nc3ccncc3)cc2)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
GFER P55789 1/20 0.43
MAPT P10636 3/20 0.41
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NR2F2 P24468 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ALOX12 P18054 1/20 0.37
NR1I2 O75469 1/20 0.36
NAMPT P43490 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PKM P14618 1/20 0.35
TP53 P04637 2/20 0.35
F2 P00734 1/20 0.34

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 0.81 POLB (0.45) GAAPOLBTSHRGFERMAPT
SCHEMBL8195014 0.81 HTT (0.54) POLBLMNASMN1; SMN2HTTALDH1A1
SCHEMBL8195508 0.81 HTT (0.54) POLBLMNASMN1; SMN2HTTALDH1A1
SCHEMBL8236007 0.80 GAA (0.43) GAAPOLBTSHRGFERMAPT
SCHEMBL8220319 0.77 LMNA (0.47) GAAPOLBTSHRGFERMAPT
SCHEMBL8200238 0.74 PLG (0.40) GAAPOLBTSHRMAPTLMNA
SCHEMBL8200233 0.73 CYP17A1 (0.45) RAB9AALDH1A1
SCHEMBL7966280 0.71 LMNA (0.47) GAAPOLBTSHRGFERMAPT
SCHEMBL14323786 0.68 NAMPT (0.37) POLBLMNASMN1; SMN2HTTALDH1A1
SCHEMBL504588 0.64 PLG (0.44)

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