SCHEMBL7872853

SCHEMBL7872853

O=C(Oc1cccc2nc3ccccc3cc12)ON1C(=O)CCC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 5/20 0.38
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 4/20 0.38
NPC1 O15118 3/20 0.38
KDM4E B2RXH2 2/20 0.38
GLA P06280 2/20 0.38
HPGD P15428 2/20 0.38
GAA P10253 2/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38
PTBP1 P26599 1/20 0.38
RCE1 Q9Y256 1/20 0.38
PARL Q9H300 1/20 0.35
MEN1 O00255 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 3/20 0.33

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
SCHEMBL28811993 0.80 KDM4E (0.40) MAPTHTTRAB9AKMT2AALDH1A1
Acridine SCHEMBL7872845 0.79 ALDH1A1 (0.46) MAPTRAB9AKMT2AALDH1A1NPC1
SCHEMBL8643078 0.74 MAPT (0.50) MAPTHTTRAB9AKMT2AALDH1A1
SCHEMBL27729469 0.74 ALDH1A1 (0.47) MAPTHTTRAB9AKMT2AALDH1A1
SCHEMBL28897856 0.73 ALDH1A1 (0.46) MAPTHTTRAB9AKMT2AALDH1A1
SCHEMBL22721013 0.73 KDM4E (0.49) MAPTHTTRAB9AKMT2AALDH1A1
SCHEMBL9644825 0.73 KMT2A (0.55) MAPTHTTRAB9AKMT2AALDH1A1
SCHEMBL13978229 0.72 ALDH1A1 (0.48) MAPTHTTKMT2AALDH1A1KDM4E
SCHEMBL13978014 0.72 BCHE (0.41) MAPTHTTKMT2AALDH1A1KDM4E
SCHEMBL7780925 0.71 MAPK1 (0.47) MAPTKMT2AALDH1A1GLAHPGD

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
US-6316595-B1 PNA synthesis using a base-labile amino protecting group AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-11-13 US disclosed
US-6121418-A PNA synthesis using a base-labile amino protecting group HOECHST AKTIENGESELLSCHAFT (DE) 2000-09-19 US disclosed
US-6046306-A SOLID PHASE SYNTHESIS OF PEPTIDE NUCLEIC ACIDS ALLOWING OLIGOMER TO BE CLEAVED OFF FROM THE SOLID SUPPORT UNDER THE ALKALINE CONDITIONS CONVENTIONALLY USED FOR OLIGONUCLEOTIDES HOECHST AKTIENGESELLSCHAFT (DE) 2000-04-04 US disclosed