SCHEMBL7527797

SCHEMBL7527797

COc1ccc(Br)c2ccccc12.[MgH2]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.55
EP300 Q09472 2/20 0.53
KAT8 Q9H7Z6 1/20 0.53
HPGDS O60760 1/20 0.51
PKM P14618 1/20 0.51
IMPDH2 P12268 1/20 0.50
IMPDH1 P20839 1/20 0.50
NQO1 P15559 1/20 0.48
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
NQO2 P16083 1/20 0.47
MAPT P10636 2/20 0.45
PLK1 P53350 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA7 P43166 1/20 0.44

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
SCHEMBL30719614 0.98 IDO1 (0.57) IDO1EP300KAT8HPGDSPKM
SCHEMBL1891196 0.98 IDO1 (0.57) IDO1EP300KAT8HPGDSPKM
SCHEMBL5759879 0.84 IDO1 (0.47) IDO1EP300KAT8HPGDSPKM
SCHEMBL29380721 0.83 IDO1 (0.73) IDO1EP300KAT8HPGDSIMPDH2
SCHEMBL419307 0.83 IDO1 (0.73) IDO1EP300KAT8HPGDSIMPDH2
SCHEMBL28007983 0.81 IDO1 (0.44) IDO1EP300KAT8HPGDSPKM
SCHEMBL11068046 0.79 PKM (0.52) IDO1EP300KAT8PKMLMNA
SCHEMBL9611883 0.78 APP (0.46) PKMLMNAL3MBTL1HPGDKMT2A
SCHEMBL12019841 0.77 IDO1 (0.64) IDO1EP300KAT8HPGDSIMPDH2
SCHEMBL31666411 0.77 IDO1 (0.64) IDO1EP300KAT8HPGDSIMPDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832882-B1 Naphthofluorene compounds, intermediates, compositions, and methods LILLY CO ELI (US) 2002-04-03 EP disclosed
US-5959103-A Naphthofluorene compounds, intermediates, compositions, and methods ELI LILLY AND COMPANY (US) 1999-09-28 US disclosed
US-5889000-A USEFUL FOR INHIBITING BONE LOSS OR BONE RESORPTION, PARTICULARLY OSTEOPOROSIS, CARDIOVASCULAR DISORDERS, INCLUDING HYPERLIPIDEMIA AND ESTROGEN DEPENDENT CANCER ELI LILLY AND COMPANY (US) 1999-03-30 US disclosed
EP-0832882-A2 Naphthofluorene compounds, intermediates, compositions, and methods ELI LILLY AND COMPANY (US) 1998-04-01 EP disclosed