SCHEMBL5064083

SCHEMBL5064083

Cc1nc(-c2ccc(OCCCCCOc3ccc(C(N)=NO)cc3)cc2)c(C(=O)NCCCn2ccnc2)s1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.57
HTT P42858 2/20 0.57
MAPK1 P28482 2/20 0.57
GAA P10253 2/20 0.54
ALDH1A1 P00352 2/20 0.50
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.50
NAMPT P43490 9/20 0.49
KDM4E B2RXH2 1/20 0.46
CYP19A1 P11511 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.45
KMT2A Q03164 1/20 0.45
USP2 O75604 1/20 0.45

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
SCHEMBL1779323 0.88 L3MBTL1 (0.57) SMN1; SMN2HTTMAPK1GAAALDH1A1
SCHEMBL729312 0.87 SMN1; SMN2 (0.58) SMN1; SMN2HTTMAPK1GAAALDH1A1
SCHEMBL5064080 0.84 SMN1; SMN2 (0.50) SMN1; SMN2HTTMAPK1GAAALDH1A1
SCHEMBL7292305 0.75 TBXAS1 (0.67) GAAKDM4ELMNAKMT2A
SCHEMBL7294531 0.72 TBXAS1 (0.72) MAPK1ALDH1A1KDM4ELMNAKMT2A
SCHEMBL727848 0.71 SMN1; SMN2 (0.47) SMN1; SMN2HTTMAPK1GAAKDM4E
SCHEMBL727417 0.71 SMN1; SMN2 (0.46) SMN1; SMN2HTTMAPK1GAANAMPT
SCHEMBL2809845 0.70 HTT (0.42) SMN1; SMN2HTTMAPK1GAANAMPT
SCHEMBL727667 0.70 NOS1 (0.44) SMN1; SMN2HTTMAPK1GAAKDM4E
SCHEMBL12213745 0.70 GAA (0.53) GAAMAPTLMNATP53KMT2A

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
EP-1979334-A1 NOVEL BENZAMIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Dong Wha Pharmaceutical. Ind. Co., Ltd. (KR) 2008-10-15 EP claimed
WO-2007089101-A1 NOVEL BENZAMIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONG WHA PHARMACEUTICAL IND.CO., LTD. (KR) 2007-08-09 WO claimed