SCHEMBL8726262

SCHEMBL8726262

NCCOC(=O)c1cccc2[nH]ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.47
HDAC2 Q92769 3/20 0.47
HDAC3 O15379 3/20 0.47
HDAC4 P56524 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 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
SCHEMBL28756865 0.83 TSHR (0.60) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL6417970 0.82 NUDT1 (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7425563 0.78 ALDH1A1 (0.56) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL30430559 0.76 NR4A2 (0.63) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL45030 0.76 NR4A2 (0.63) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL5844333 0.75 HRH3 (0.56) HDAC8ALDH1A1TSHRKDM4EMEN1
SCHEMBL6875364 0.75 DHPS (0.46) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL28393082 0.75 ALDH1A1 (0.64) ALDH1A1TSHRKDM4EHSD17B10RAB9A
SCHEMBL46523 0.74 ALDH1A1 (0.59) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL5891583 0.73 DHPS (0.56) HDAC1HDAC2HDAC3HDAC4HDAC7

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-5780498-A PEPTIDE DERIVATIVES FOR CARDIOVASCULAR AND BRAIN DISORDERS CIBA-GEIGY JAPAN LIMITED (JP) 1998-07-14 US disclosed