SCHEMBL7438872

SCHEMBL7438872

CCC(O)Nc1nc2nc(C)n(Cc3ccccc3)c2c(=O)n1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.45
ALDH1A1 P00352 4/20 0.45
TSHR P16473 2/20 0.45
ALOX15 P16050 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 6/20 0.43
PCSK9 Q8NBP7 1/20 0.43
HPGD P15428 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPK1 P28482 5/20 0.42
GFER P55789 2/20 0.42
HTT P42858 3/20 0.41
HSD17B10 Q99714 2/20 0.41
USP2 O75604 1/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
GAA P10253 2/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL8798829 0.91 LMNA (0.41) LMNAALDH1A1TSHRALOX15SMN1; SMN2
SCHEMBL7438089 0.90 MAPT (0.44) LMNAALDH1A1TSHRALOX15SMN1; SMN2
SCHEMBL7445277 0.89 LMNA (0.43) LMNAALDH1A1TSHRALOX15SMN1; SMN2
SCHEMBL7446965 0.89 PCSK9 (0.43) LMNAALDH1A1TSHRALOX15SMN1; SMN2
SCHEMBL7446971 0.89 PCSK9 (0.43) LMNAALDH1A1TSHRALOX15SMN1; SMN2
SCHEMBL7437824 0.89 LMNA (0.43) LMNAALDH1A1TSHRALOX15SMN1; SMN2
SCHEMBL7442836 0.88 MAPT (0.45) LMNAALDH1A1TSHRALOX15SMN1; SMN2
SCHEMBL7438860 0.86 PCSK9 (0.49) LMNAALDH1A1TSHRALOX15SMN1; SMN2
SCHEMBL8798819 0.86 PCSK9 (0.41) LMNAALDH1A1TSHRALOX15SMN1; SMN2
SCHEMBL7438080 0.85 PCSK9 (0.42) LMNAALDH1A1TSHRALOX15SMN1; SMN2

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