SCHEMBL5260412

SCHEMBL5260412

O=C(O)N1CCC(NCCOc2ccc(-c3nc4cc(Br)cnc4[nH]3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 12/20 0.41
ALDH1A1 P00352 1/20 0.40
OPRK1 P41145 1/20 0.37
HDAC3 O15379 2/20 0.37
HDAC4 P56524 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC10 Q969S8 2/20 0.37
HDAC11 Q96DB2 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC9 Q9UKV0 2/20 0.37
HDAC5 Q9UQL6 2/20 0.37
PRMT5 O14744 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TBK1 Q9UHD2 1/20 0.36

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
SCHEMBL5258478 0.90 KDM4E (0.47) CHEK2ALDH1A1PRMT5KDM4E
Trifluoroacetic Acid SCHEMBL4839422 0.87 KDM4E (0.43) CHEK2ALDH1A1PRMT5KDM4E
SCHEMBL5256126 0.86 CYP3A4 (0.47) ALDH1A1KDM4E
SCHEMBL4844677 0.86 KDM4E (0.47) CHEK2ALDH1A1KDM4ETBK1
Trifluoroacetic Acid SCHEMBL4844409 0.86 ALDH1A1 (0.46) CHEK2ALDH1A1HDAC3HDAC4HDAC1
SCHEMBL4834728 0.85 CHEK2 (0.40) CHEK2ALDH1A1HDAC3HDAC4HDAC1
Trifluoroacetic Acid SCHEMBL4843340 0.84 CHEK2 (0.40) CHEK2ALDH1A1HDAC3HDAC4HDAC1
SCHEMBL5259501 0.84 KDM4E (0.36) CHEK2ALDH1A1OPRK1HDAC3HDAC4
Trifluoroacetic Acid SCHEMBL4840418 0.80 TBK1 (0.39) CHEK2ALDH1A1KDM4ETBK1
SCHEMBL4841988 0.80 SMN1; SMN2 (0.42) CHEK2ALDH1A1PRMT5KDM4E

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
EP-1539759-B1 NOVEL IMIDAZOPYRIDINES AND THEIR USE ASTRAZENECA AB (SE) 2007-08-15 EP claimed