SCHEMBL2860872

SCHEMBL2860872

Cc1ncc(CCO)cn1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
CA2 P00918 1/20 0.37
KDM4E B2RXH2 3/20 0.35
TKT P29401 5/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
ALDH1A1 P00352 2/20 0.33
GRM2 Q14416 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
HSP90AA1 P07900 1/20 0.33
ALOX5 P09917 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
BACE1 P56817 1/20 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
SCHEMBL19441154 0.84 GRM2 (0.33) KDM4EGRM2
SCHEMBL2171192 0.79
SCHEMBL423180 0.77 NPC1 (0.41) TDP1CA2KDM4EALDH1A1MEN1
SCHEMBL1120595 0.75 TDP1 (0.39) TDP1MEN1KMT2A
SCHEMBL10060439 0.75 KDM4E (0.40) TDP1CA2KDM4EALDH1A1MEN1
SCHEMBL24669627 0.75 TDP1 (0.39) TDP1CA2KDM4EALDH1A1MEN1
SCHEMBL2172820 0.75 TAAR1 (0.46) TDP1KDM4EALDH1A1BACE1
SCHEMBL16471442 0.75 KDM4E (0.39) KDM4EALDH1A1MEN1KMT2A
SCHEMBL9889512 0.75 PPARA (0.41) TDP1CA2CYP4F2CYP4A11
SCHEMBL4353619 0.75 TSHR (0.53) TDP1CA2KDM4ETKTCYP4F2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139334-A1 2-CYANOPHENYL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF Renovis, Inc. (US) 2010-01-06 EP disclosed
EP-2136639-A1 PYRID-2-YL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF Renovis, Inc. (US) 2009-12-30 EP disclosed
WO-2008130481-A1 2-CYANOPHENYL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2008-10-30 WO disclosed
WO-2008123963-A1 PYRID-2-YL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2008-10-16 WO disclosed
EP-0502524-B1 Microbiological process for terminal hydroxylation of ethyl-groups on aromatic 5- or 6-membered heterocycles LONZA AG (CH) 1996-05-15 EP disclosed
US-5326752-A Substituted lactose and lactosamine derivatives as cell adhesion inhibitors GLYCOMED INCORPORATED (US) 1994-07-05 US disclosed
US-5306625-A Using microorganism containing genes of Pseudomonas plasmid LONZA LTD. (CH) 1994-04-26 US disclosed
EP-0502524-A1 Microbiological process for terminal hydroxylation of ethyl-groups on aromatic 5- or 6-membered heterocycles LONZA AG (CH) 1992-09-09 EP disclosed