SCHEMBL4563579

SCHEMBL4563579

NOC(=O)c1cc(-c2ccc(CNCCc3c[nH]c4ccccc34)cc2)cs1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.57
HDAC1 Q13547 4/20 0.52
HDAC3 O15379 3/20 0.52
HDAC4 P56524 3/20 0.52
HDAC7 Q8WUI4 3/20 0.52
HDAC2 Q92769 3/20 0.52
HDAC10 Q969S8 3/20 0.52
HDAC11 Q96DB2 3/20 0.52
HDAC8 Q9BY41 3/20 0.52
HDAC6 Q9UBN7 3/20 0.52
HDAC9 Q9UKV0 3/20 0.52
HDAC5 Q9UQL6 3/20 0.52
KCNH2 Q12809 1/20 0.52
MC5R P33032 2/20 0.51
MC3R P41968 2/20 0.51
MC1R Q01726 2/20 0.51
LMNA P02545 2/20 0.47
MEN1 O00255 2/20 0.47
TP53 P04637 1/20 0.47
HTR6 P50406 1/20 0.46

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
Hydroxyamine SCHEMBL4563582 0.89 KMT2A (0.59) KMT2AHDAC1HDAC3HDAC4HDAC7
SCHEMBL4553069 0.88 HDAC1 (0.59) KMT2AHDAC1HDAC3HDAC4HDAC7
SCHEMBL4563301 0.84 HDAC1 (0.60) KMT2AHDAC1HDAC3HDAC4HDAC7
SCHEMBL4563389 0.81 KMT2A (0.61) KMT2AHDAC1HDAC3HDAC4HDAC7
SCHEMBL4563645 0.78 HTR6 (0.56) KMT2AHDAC1HDAC3HDAC4HDAC7
SCHEMBL23745517 0.77 MC5R (0.71) KMT2AHDAC1HDAC3HDAC4HDAC7
Hydrochloric Acid SCHEMBL23722207 0.76 MC5R (0.69) KMT2AHDAC1HDAC3HDAC4HDAC7
SCHEMBL4932422 0.75 KMT2A (0.73) KMT2AHDAC1HDAC3HDAC4HDAC7
Hydroxyamine SCHEMBL4563302 0.74 HDAC1 (0.61) KMT2AHDAC1HDAC3HDAC4HDAC7
SCHEMBL8289901 0.73 HDAC1 (0.76) KMT2AHDAC1HDAC3HDAC4HDAC7

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-1682538-A4 BIARYL LINKED HYDROXAMATES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S BIO PTE LTD (SG) 2009-05-27 EP claimed
EP-1682538-A1 BIARYL LINKED HYDROXAMATES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*Bio Pte Ltd (SG) 2006-07-26 EP claimed
WO-2005040161-A1 BIARYL LINKED HYDROXAMATES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*BIO PTE LTD (SG) 2005-05-06 WO claimed