SCHEMBL7434632

SCHEMBL7434632

Cn1c(NC2(CO)CCCC2)nc2ncn(Cc3ccccc3)c2c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
SMN1; SMN2 Q16637 7/20 0.46
ADORA2B P29275 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
ALDH1A1 P00352 3/20 0.44
HPGD P15428 1/20 0.42
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
PDE1C Q14123 1/20 0.41
POLB P06746 1/20 0.40
HIF1A Q16665 1/20 0.40
PARN O95453 1/20 0.40
CNOT7 Q9UIV1 1/20 0.40
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
PCSK9 Q8NBP7 1/20 0.38
GLA P06280 1/20 0.37
HTT P42858 1/20 0.37
UBE2N P61088 1/20 0.37
CCNE2 O96020 1/20 0.37

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
SCHEMBL7438037 0.82 PCSK9 (0.42) GAASMN1; SMN2ALDH1A1HPGDPOLB
SCHEMBL7440073 0.82 GAA (0.47) GAASMN1; SMN2ADORA2BRXFP1ALDH1A1
SCHEMBL7445594 0.79 SMN1; SMN2 (0.62) GAASMN1; SMN2ADORA2BRXFP1ALDH1A1
SCHEMBL7444390 0.79 PDE5A (0.40) GAASMN1; SMN2ALDH1A1POLBHIF1A
SCHEMBL7443156 0.78 SMN1; SMN2 (0.54) GAASMN1; SMN2ADORA2BRXFP1ALDH1A1
SCHEMBL7441118 0.76 GAA (0.47) GAASMN1; SMN2ADORA2BRXFP1ALDH1A1
SCHEMBL7438608 0.76 GAA (0.47) GAASMN1; SMN2ADORA2BRXFP1ALDH1A1
SCHEMBL7441123 0.76 GAA (0.47) GAASMN1; SMN2ADORA2BRXFP1ALDH1A1
SCHEMBL7438604 0.76 GAA (0.47) GAASMN1; SMN2ADORA2BRXFP1ALDH1A1
SCHEMBL7440054 0.76 GAA (0.45) GAASMN1; SMN2ADORA2BRXFP1ALDH1A1

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