SCHEMBL10991809

SCHEMBL10991809

O=C(O)CCCCCNC(=O)c1ccc(-c2ccccc2)cn1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 6/20 0.66
EGLN1 Q9GZT9 3/20 0.54
HDAC6 Q9UBN7 3/20 0.53
GCGR P47871 2/20 0.53
MAPK1 P28482 1/20 0.52
LMNA P02545 1/20 0.52
HDAC3 O15379 2/20 0.52
HDAC4 P56524 2/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC7 Q8WUI4 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC10 Q969S8 2/20 0.52
HDAC11 Q96DB2 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC9 Q9UKV0 2/20 0.52
HDAC5 Q9UQL6 2/20 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
SCHEMBL18902507 0.87 HIF1A (0.66) HIF1AEGLN1HDAC6HDAC3HDAC4
SCHEMBL3380686 0.82 HDAC1 (0.51) HIF1AEGLN1HDAC6LMNAHDAC3
SCHEMBL10102476 0.81 HDAC3 (0.75) HDAC6MAPK1LMNAHDAC3HDAC4
SCHEMBL13299860 0.81 HDAC3 (0.75) HDAC6MAPK1LMNAHDAC3HDAC4
SCHEMBL6387697 0.80 MAPK1 (0.81) HDAC6MAPK1LMNAHDAC3HDAC4
SCHEMBL69286 0.80 EGLN1 (0.81) HIF1AEGLN1
Hydrochloric Acid SCHEMBL3128502 0.80 HDAC3 (0.73) HDAC6MAPK1LMNAHDAC3HDAC4
SCHEMBL28344799 0.80 HIF1A (1.00) HIF1AEGLN1
SCHEMBL10989972 0.76 LMNA (0.68) HDAC6MAPK1LMNAHDAC3HDAC4
SCHEMBL28598668 0.76 HIF1A (1.00) HIF1AEGLN1

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
US-4555520-A 2-Pyridylcarboxamides which inhibit arachidonic acid release E. R. SQUIBB & SONS, INC. (US) 1985-11-26 US disclosed