SCHEMBL5754492

SCHEMBL5754492

Brc1ccc2ccc(OCCN3CCCC3)cc2c1.Oc1ccc2ccc(Br)cc2c1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.56
PTGS2 P35354 1/20 0.56
NPSR1 Q6W5P4 1/20 0.54
KDM4E B2RXH2 1/20 0.53
POLB P06746 1/20 0.53
GAA P10253 1/20 0.53
ESR1 P03372 11/20 0.53
ESR2 Q92731 11/20 0.53
HRH3 Q9Y5N1 4/20 0.51

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
SCHEMBL4080457 0.92 LTA4H (0.64) LTA4HPTGS2NPSR1KDM4EPOLB
SCHEMBL1640980 0.89 LTA4H (0.68) LTA4HPTGS2NPSR1KDM4EPOLB
SCHEMBL4084094 0.88 LTA4H (0.66) LTA4HPTGS2NPSR1KDM4EPOLB
SCHEMBL4085732 0.88 LTA4H (0.66) LTA4HPTGS2NPSR1KDM4EPOLB
SCHEMBL4090273 0.81 ATM (0.68) NPSR1KDM4EHRH3
SCHEMBL8780108 0.81 ATM (0.59) LTA4HPTGS2NPSR1KDM4EPOLB
SCHEMBL5442329 0.78 TSHR (0.66) LTA4HKDM4EHRH3
SCHEMBL11151279 0.77 HRH3 (0.81) LTA4HHRH3
SCHEMBL30186207 0.77 HRH3 (0.81) LTA4HHRH3
SCHEMBL2475993 0.76 ESR1 (0.75) LTA4HPTGS2KDM4EESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1692128-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF AS PROTEIN KINASE INHIBITORS Signal Pharmaceuticals LLC (US) 2006-08-23 EP disclosed
WO-2005051942-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2005-06-09 WO disclosed