SCHEMBL4553062

SCHEMBL4553062

O=[C]c1ccc(-c2ccc(CNCCc3c[nH]c4ccccc34)cc2)s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.62
KMT2A Q03164 3/20 0.55
MC5R P33032 2/20 0.54
MC3R P41968 2/20 0.54
MC1R Q01726 2/20 0.54
HDAC1 Q13547 3/20 0.52
HDAC3 O15379 2/20 0.52
HDAC4 P56524 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
HDAC6 Q9UBN7 2/20 0.52
HDAC9 Q9UKV0 2/20 0.52
HDAC5 Q9UQL6 2/20 0.52
KCNH2 Q12809 1/20 0.52
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49

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
SCHEMBL8289901 0.82 HDAC1 (0.76) HTR6KMT2AMC5RMC3RMC1R
Hydroxyamine SCHEMBL4563302 0.81 HDAC1 (0.61) HTR6KMT2AMC5RMC3RMC1R
SCHEMBL23745517 0.79 MC5R (0.71) HTR6KMT2AMC5RMC3RMC1R
SCHEMBL4563301 0.79 HDAC1 (0.60) HTR6KMT2AMC5RMC3RMC1R
Hydrochloric Acid SCHEMBL23722207 0.78 MC5R (0.69) HTR6KMT2AMC5RMC3RMC1R
SCHEMBL830201 0.77 MC5R (0.79) HTR6KMT2AMC5RMC3RMC1R
Hydrochloric Acid SCHEMBL11188453 0.75 MC5R (0.77) HTR6KMT2AMC5RMC3RMC1R
SCHEMBL18088393 0.75 MC5R (0.71) KMT2AMC5RMC3RMC1RHDAC1
SCHEMBL6037918 0.75 MC5R (0.71) HTR6KMT2AMC5RMC3RMC1R
SCHEMBL17117861 0.75 MC5R (0.71) HTR6KMT2AMC5RMC3RMC1R

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