SCHEMBL8799181

SCHEMBL8799181

Cc1nc2nc(N[C@@H](CO)c3ccccc3)n(C)c(=O)c2n1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 1/20 0.43
MDM2 Q00987 3/20 0.43
TP53 P04637 1/20 0.43
LMNA P02545 5/20 0.43
ALDH1A1 P00352 3/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 5/20 0.41
HPGD P15428 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPK1 P28482 2/20 0.39
HTT P42858 2/20 0.39
USP2 O75604 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
GAA P10253 2/20 0.39

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
SCHEMBL8799176 1.00 PCSK9 (0.43) PCSK9MDM2TP53LMNAALDH1A1
SCHEMBL7438860 0.88 PCSK9 (0.49) PCSK9MDM2LMNAALDH1A1ALOX15
SCHEMBL7439319 0.86 LMNA (0.47) PCSK9TP53LMNAALDH1A1ALOX15
SCHEMBL7446965 0.86 PCSK9 (0.43) PCSK9TP53LMNAALDH1A1ALOX15
SCHEMBL7445273 0.86 PCSK9 (0.43) PCSK9LMNAALDH1A1ALOX15TSHR
SCHEMBL7446971 0.86 PCSK9 (0.43) PCSK9TP53LMNAALDH1A1ALOX15
SCHEMBL7438872 0.84 LMNA (0.45) PCSK9TP53LMNAALDH1A1ALOX15
SCHEMBL7437818 0.84 PCSK9 (0.44) PCSK9TP53LMNAALDH1A1ALOX15
SCHEMBL7438080 0.84 PCSK9 (0.42) PCSK9TP53LMNAALDH1A1ALOX15
SCHEMBL7442836 0.83 MAPT (0.45) PCSK9TP53LMNAALDH1A1ALOX15

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
EP-0538332-A1 POLYCYCLIC GUANINE DERIVATIVES. SCHERING CORP (US) 1993-04-28 EP disclosed