SCHEMBL5228823

SCHEMBL5228823

O=C(Nc1ccccc1NC(=O)c1ccc(I)cc1)OCC1CCN(c2ccncc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.53
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
CHRM3 P20309 11/20 0.42
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
MAOB P27338 1/20 0.41
PLA2G1B P04054 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
CHRM2 P08172 1/20 0.40

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
SCHEMBL5260230 0.91 F10 (0.52) F10HDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL5225578 0.86 F10 (0.52) F10HDAC3HDAC4HDAC1HDAC7
SCHEMBL5258542 0.85 CHRM3 (0.50) F10HDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL5227078 0.85 F10 (0.48) F10CHRM3
SCHEMBL7374848 0.84 F10 (0.46) F10
SCHEMBL5263815 0.83 F10 (0.55) F10SMN1; SMN2
SCHEMBL7406978 0.83 HDAC3 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5261480 0.82 POLB (0.52) F10SMN1; SMN2
SCHEMBL5227790 0.81 F10 (0.42) F10HDAC3HDAC1HDAC2CHRM3
SCHEMBL7370343 0.81 F10 (0.43) F10HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1014962-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2007-06-27 EP disclosed
EP-1014962-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-05 EP disclosed
WO-1999000121-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 WO disclosed