SCHEMBL5328452

SCHEMBL5328452

Cc1nc2c(O)c(CC[C@H](O)c3ccccc3F)c(C(=O)N(C)C)cn2c1C

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GUCY1B2 O75343 6/20 0.33
GUCY1A2 P33402 6/20 0.33
GUCY1A1 Q02108 6/20 0.33
GUCY1B1 Q02153 6/20 0.33
CTSA P10619 1/20 0.32
MAPT P10636 1/20 0.30

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
SCHEMBL5324424 1.00 KDM4E (0.33) KDM4EALDH1A1HPGDHSD17B10GUCY1B2
SCHEMBL5328449 1.00 KDM4E (0.33) KDM4EALDH1A1HPGDHSD17B10GUCY1B2
SCHEMBL5330153 0.91 CYP3A4 (0.34) CTSA
SCHEMBL5327758 0.91 CYP3A4 (0.34) CTSA
SCHEMBL5327754 0.91 CYP3A4 (0.34) CTSA
SCHEMBL5566372 0.87 PRKDC (0.34) ALDH1A1MAPT
SCHEMBL4977432 0.87 PRKDC (0.34) ALDH1A1MAPT
SCHEMBL5451120 0.87 PRKDC (0.34) ALDH1A1MAPT
SCHEMBL5326673 0.85 AOC3 (0.32)
SCHEMBL5326656 0.85 AOC3 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007141253-A1 PROCESS FOR THE PRODUCTION OF INTERMEDIATES FOR THE PREPARATION OF TRICYCLIC IMIDAZOPYRIDINES NYCOMED GMBH (DE) 2007-12-13 WO claimed