SCHEMBL6956758

SCHEMBL6956758

CCOC(=O)c1c(-c2ccc(F)cc2)nc(C)c(C#N)c1C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.46
ALDH1A1 P00352 5/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
PTGS2 P35354 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.41
GRM6 O15303 1/20 0.41
PRKCZ Q05513 1/20 0.41
RXFP1 Q9HBX9 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
SCHEMBL6961553 0.88 ALDH1A1 (0.45) ALDH1A1L3MBTL1KDM4EHPGDSMN1; SMN2
SCHEMBL6957283 0.83 ALDH1A1 (0.50) ALDH1A1L3MBTL1KDM4EHPGDSMN1; SMN2
SCHEMBL6949795 0.82 ADORA3 (0.50) ADORA3ALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL6960560 0.82 GCGR (0.49) ADORA3ALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL6949885 0.81 ADORA3 (0.46) ADORA3ALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL9270929 0.78 GCGR (0.46) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL15481445 0.77 ALDH1A1 (0.47) ADORA3ALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL3843460 0.75 PRKCZ (0.52) ADORA3ALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL10379237 0.75 ADORA3 (0.49) ADORA3ALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL6953967 0.75 ADORA1 (0.40) ALDH1A1L3MBTL1KDM4EHPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0325130-B1 Substituted pyridines BAYER AG (DE) 2003-11-05 EP disclosed
EP-1123924-A1 Substituted pyridines as HMG-COA reductase inhibitors BAYER AG (DE) 2001-08-16 EP disclosed
EP-1123925-A1 Process for preparation of substituted pyridines BAYER AG (DE) 2001-08-16 EP disclosed
US-5401746-A FOR INHIBITING CHOLESTEROL BIOSYNTHESIS AND HMG-COA REDUCTASE BAYER AKTIENGESELLSCHAFT (DE) 1995-03-28 US disclosed
US-5169857-A Anticholesterol agents BAYER AKTIENGESELLSCHAFT (DE) 1992-12-08 US disclosed
US-5006530-A Certain 7-[2,6-diisopropyl-4-phenyl-5-lower alkoxymethyl-pyrid-3-yl]-3,5-dihydroxy-6-enoates and derivatives useful for treating circulatory diseases BAYER AKTIENGESELLSCHAFT (DE) 1991-04-09 US disclosed
EP-0325130-A2 Substituted pyridines BAYER AG (DE) 1989-07-26 EP disclosed