SCHEMBL7445277

SCHEMBL7445277

Cc1nc2nc(NC(O)CC(C)C)n(C)c(=O)c2n1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.43
ALDH1A1 P00352 4/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
MAPT P10636 5/20 0.42
PCSK9 Q8NBP7 1/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 2/20 0.41
RAB9A P51151 1/20 0.41
HTT P42858 4/20 0.40
MAPK1 P28482 3/20 0.40
USP2 O75604 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
GAA P10253 2/20 0.39
PKM P14618 1/20 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
SCHEMBL8798829 0.91 LMNA (0.41) LMNAALDH1A1ALOX15TSHRSMN1; SMN2
SCHEMBL7437824 0.91 LMNA (0.43) LMNAALDH1A1ALOX15TSHRSMN1; SMN2
SCHEMBL7438872 0.89 LMNA (0.45) LMNAALDH1A1ALOX15TSHRSMN1; SMN2
SCHEMBL7437818 0.89 PCSK9 (0.44) LMNAALDH1A1ALOX15TSHRSMN1; SMN2
SCHEMBL7442836 0.88 MAPT (0.45) LMNAALDH1A1ALOX15TSHRSMN1; SMN2
SCHEMBL7438860 0.86 PCSK9 (0.49) LMNAALDH1A1ALOX15TSHRSMN1; SMN2
SCHEMBL7438089 0.86 MAPT (0.44) LMNAALDH1A1ALOX15TSHRSMN1; SMN2
SCHEMBL7445273 0.84 PCSK9 (0.43) LMNAALDH1A1ALOX15TSHRSMN1; SMN2
SCHEMBL8799181 0.82 PCSK9 (0.43) LMNAALDH1A1ALOX15TSHRSMN1; SMN2
SCHEMBL7447380 0.82 LMNA (0.46) LMNAALDH1A1ALOX15TSHRSMN1; 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 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