SCHEMBL7443156

SCHEMBL7443156

Cn1c(NCCCO)nc2ncn(Cc3ccccc3)c2c1=O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.54
ALDH1A1 P00352 2/20 0.54
GAA P10253 1/20 0.53
PCSK9 Q8NBP7 2/20 0.49
ADORA2B P29275 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 2/20 0.46
MAPK1 P28482 2/20 0.46
TP53 P04637 2/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.45
THRB P10828 1/20 0.44

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
SCHEMBL7445594 0.94 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1GAAPCSK9ADORA2B
SCHEMBL7443243 0.81 HIF1A (0.53) SMN1; SMN2ALDH1A1GAAADORA2BRXFP1
SCHEMBL18990814 0.79 MAPT (0.52) SMN1; SMN2LMNATP53MAPTTSHR
SCHEMBL7440073 0.79 GAA (0.47) SMN1; SMN2ALDH1A1GAAPCSK9ADORA2B
SCHEMBL28814905 0.78 GAA (0.59) SMN1; SMN2ALDH1A1GAAADORA2BRXFP1
SCHEMBL7434632 0.78 GAA (0.48) SMN1; SMN2ALDH1A1GAAPCSK9ADORA2B
SCHEMBL7439781 0.77 GAA (0.60) SMN1; SMN2ALDH1A1GAAADORA2BRXFP1
SCHEMBL4264289 0.76 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1PCSK9ADORA2BRXFP1
SCHEMBL7441118 0.75 GAA (0.47) SMN1; SMN2ALDH1A1GAAADORA2BRXFP1
SCHEMBL7441123 0.75 GAA (0.47) SMN1; SMN2ALDH1A1GAAADORA2BRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0538332-B1 POLYCYCLIC GUANINE DERIVATIVES SCHERING CORP (US) 1997-07-23 EP disclosed
US-5393755-A Hypotensive agents, enzyme inhibitors SCHERING CORPORATION (US) 1995-02-28 US disclosed
EP-0538332-A1 POLYCYCLIC GUANINE DERIVATIVES. SCHERING CORP (US) 1993-04-28 EP disclosed
WO-1991019717-A1 POLYCYCLIC GUANINE DERIVATIVES SCHERING CORPORATION (US) 1991-12-26 WO disclosed