SCHEMBL7441118

SCHEMBL7441118

Cn1c(NC2CCCCC2O)nc2ncn(Cc3ccccc3)c2c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.45
ADORA2B P29275 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
TSHR P16473 2/20 0.43
MAPK1 P28482 2/20 0.43
TP53 P04637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HPGD P15428 2/20 0.41
ALDH1A1 P00352 2/20 0.41
PDE1A P54750 2/20 0.40
PDE1B Q01064 2/20 0.40
PDE1C Q14123 2/20 0.40
POLB P06746 2/20 0.39
HIF1A Q16665 1/20 0.39
PARN O95453 1/20 0.39
CNOT7 Q9UIV1 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.38
RAB9A P51151 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
SCHEMBL7441123 1.00 GAA (0.47) GAASMN1; SMN2ADORA2BRXFP1TSHR
SCHEMBL7438604 0.98 GAA (0.47) GAASMN1; SMN2ADORA2BRXFP1TSHR
SCHEMBL7438608 0.98 GAA (0.47) GAASMN1; SMN2ADORA2BRXFP1TSHR
SCHEMBL7438356 0.89 PDE5A (0.44) GAASMN1; SMN2TSHRMAPK1TP53
SCHEMBL7438364 0.89 PDE5A (0.44) GAASMN1; SMN2TSHRMAPK1TP53
SCHEMBL7442326 0.87 SMN1; SMN2 (0.44) GAASMN1; SMN2ADORA2BRXFP1TSHR
SCHEMBL7442334 0.87 SMN1; SMN2 (0.44) GAASMN1; SMN2ADORA2BRXFP1TSHR
SCHEMBL7436704 0.83 MAPK1 (0.48) SMN1; SMN2TSHRMAPK1TP53HSD17B10
SCHEMBL7436693 0.83 MAPK1 (0.48) SMN1; SMN2TSHRMAPK1TP53HSD17B10
SCHEMBL7441716 0.82 GAA (0.45) GAASMN1; SMN2ADORA2BRXFP1TSHR

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