SCHEMBL7440073

SCHEMBL7440073

Cn1c(NCC2(O)CCCCC2)nc2ncn(Cc3ccccc3)c2c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
SMN1; SMN2 Q16637 6/20 0.45
ADORA2B P29275 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
ALDH1A1 P00352 3/20 0.43
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
PDE1A P54750 1/20 0.40
PDE1B Q01064 1/20 0.40
PDE1C Q14123 1/20 0.40
HIF1A Q16665 2/20 0.39
POLB P06746 1/20 0.39
PARN O95453 1/20 0.39
CNOT7 Q9UIV1 1/20 0.39
TSHR P16473 2/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 2/20 0.37
PCSK9 Q8NBP7 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
SCHEMBL7438053 0.83 MAPT (0.41) GAASMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL7434632 0.82 GAA (0.48) GAASMN1; SMN2ADORA2BRXFP1ALDH1A1
SCHEMBL7445594 0.81 SMN1; SMN2 (0.62) GAASMN1; SMN2ADORA2BRXFP1ALDH1A1
SCHEMBL7443156 0.79 SMN1; SMN2 (0.54) GAASMN1; SMN2ADORA2BRXFP1ALDH1A1
SCHEMBL7443243 0.77 HIF1A (0.53) GAASMN1; SMN2ADORA2BRXFP1ALDH1A1
SCHEMBL13789751 0.76 MAPT (0.69) SMN1; SMN2ALDH1A1HIF1ATSHRTP53
SCHEMBL7441118 0.75 GAA (0.47) GAASMN1; SMN2ADORA2BRXFP1ALDH1A1
SCHEMBL7438604 0.75 GAA (0.47) GAASMN1; SMN2ADORA2BRXFP1ALDH1A1
SCHEMBL7441123 0.75 GAA (0.47) GAASMN1; SMN2ADORA2BRXFP1ALDH1A1
SCHEMBL7438608 0.75 GAA (0.47) 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 3 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
WO-1991019717-A1 POLYCYCLIC GUANINE DERIVATIVES SCHERING CORPORATION (US) 1991-12-26 WO disclosed