SCHEMBL6508977

SCHEMBL6508977

Cc1cc(N2CCCCC2)nc2cc(Cl)ccc12

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.78
HSD17B10 Q99714 4/20 0.78
PKM P14618 1/20 0.78
GAA P10253 6/20 0.67
L3MBTL1 Q9Y468 3/20 0.67
ACHE P22303 1/20 0.67
ALDH1A1 P00352 6/20 0.59
HPGD P15428 5/20 0.59
POLB P06746 2/20 0.59
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
ALOX12 P18054 1/20 0.59
CYP1A2 P05177 2/20 0.57
TDP1 Q9NUW8 1/20 0.54
EGFR P00533 2/20 0.52
CASP1 P29466 2/20 0.52
CASP7 P55210 2/20 0.52
ALOX15 P16050 1/20 0.52

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
SCHEMBL3863778 1.00 KDM4E (0.78) KDM4EHSD17B10PKMGAAL3MBTL1
SCHEMBL6511143 1.00 KDM4E (0.78) KDM4EHSD17B10PKMGAAL3MBTL1
SCHEMBL5529827 0.88 KDM4E (1.00) KDM4EHSD17B10PKMGAAL3MBTL1
SCHEMBL5532732 0.87 KDM4E (0.90) KDM4EHSD17B10PKMGAAL3MBTL1
SCHEMBL4823517 0.86 NCF1 (0.68) KDM4EHSD17B10PKMGAAL3MBTL1
SCHEMBL6515129 0.85 KDM4E (0.65) KDM4EHSD17B10PKMGAAL3MBTL1
SCHEMBL6518996 0.82 KDM4E (0.66) KDM4EHSD17B10PKMGAAL3MBTL1
SCHEMBL6511778 0.81 KDM4E (0.74) KDM4EHSD17B10PKMGAAL3MBTL1
SCHEMBL29351521 0.80 KDM4E (1.00) KDM4EHSD17B10PKMGAAL3MBTL1
SCHEMBL14975993 0.80 KDM4E (1.00) KDM4EHSD17B10PKMGAAL3MBTL1

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
WO-2005087742-A1 METABOLIC KINASE MODULATORS AND METHODS OF USE AS PESTICIDES EXELIXIS, INC. (US) 2005-09-22 WO claimed
WO-2005087742-A1 METABOLIC KINASE MODULATORS AND METHODS OF USE AS PESTICIDES EXELIXIS, INC. (US) 2005-09-22 WO disclosed