SCHEMBL4563389

SCHEMBL4563389

NOC(=O)c1ccc(-c2ccc(CNCCc3c[nH]c4ccccc34)cc2)o1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.61
HTR6 P50406 10/20 0.60
HTR1A P08908 2/20 0.59
DRD2 P14416 2/20 0.59
HTR2A P28223 2/20 0.59
HTR7 P34969 2/20 0.59
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
KCNH2 Q12809 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
MC5R P33032 2/20 0.52
MC3R P41968 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
Hydroxyamine SCHEMBL4563390 0.88 KMT2A (0.64) KMT2AHTR6HTR1ADRD2HTR2A
SCHEMBL4552816 0.86 HDAC1 (0.62) KMT2AHTR6HTR1ADRD2HTR2A
SCHEMBL4563301 0.82 HDAC1 (0.60) KMT2AHTR6HTR1ADRD2HTR2A
SCHEMBL4563579 0.81 KMT2A (0.57) KMT2AHTR6HDAC3HDAC4KCNH2
SCHEMBL4932422 0.80 KMT2A (0.73) KMT2AHTR2AHDAC3HDAC4KCNH2
SCHEMBL23745517 0.78 MC5R (0.71) KMT2AHTR6HTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL23722207 0.77 MC5R (0.69) KMT2AHTR6HTR1ADRD2HTR2A
SCHEMBL830201 0.75 MC5R (0.79) KMT2AHTR6HTR1ADRD2HTR2A
SCHEMBL23745542 0.75 HTR2A (0.77) KMT2AHTR2AMC5RMC3RMC1R
Hydrochloric Acid SCHEMBL11188453 0.74 MC5R (0.77) KMT2AHTR6HTR1ADRD2HTR2A

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