SCHEMBL7447380

SCHEMBL7447380

Cc1nc2nc(NCC(C)C(C)O)n(C)c(=O)c2n1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 9/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
MAPT P10636 5/20 0.44
HIF1A Q16665 3/20 0.44
PCSK9 Q8NBP7 3/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 2/20 0.42
POLB P06746 1/20 0.42
HTT P42858 2/20 0.41
USP2 O75604 1/20 0.41
HSD17B10 Q99714 1/20 0.41
THRB P10828 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL7442836 0.83 MAPT (0.45) LMNASMN1; SMN2MAPTHIF1APCSK9
SCHEMBL7445277 0.82 LMNA (0.43) LMNASMN1; SMN2MAPTHIF1APCSK9
SCHEMBL7438872 0.82 LMNA (0.45) LMNASMN1; SMN2MAPTHIF1APCSK9
SCHEMBL7447374 0.82 LMNA (0.42) LMNASMN1; SMN2MAPTHIF1APCSK9
SCHEMBL7437824 0.82 LMNA (0.43) LMNASMN1; SMN2MAPTHIF1APCSK9
SCHEMBL7438860 0.81 PCSK9 (0.49) LMNASMN1; SMN2MAPTPCSK9ALDH1A1
SCHEMBL7441466 0.80 RAB9A (0.41) LMNASMN1; SMN2MAPTHIF1APCSK9
SCHEMBL8798829 0.80 LMNA (0.41) LMNASMN1; SMN2MAPTHIF1APCSK9
SCHEMBL7441460 0.80 RAB9A (0.41) LMNASMN1; SMN2MAPTHIF1APCSK9
SCHEMBL7445273 0.80 PCSK9 (0.43) LMNASMN1; SMN2MAPTHIF1APCSK9

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