SCHEMBL6507898

SCHEMBL6507898

O=C(O)c1ccc(-c2ccc(CNCCOc3ccccc3)nc2)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.56
NR4A2 P43354 1/20 0.51
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 2/20 0.49
GAA P10253 2/20 0.49
POLB P06746 2/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
DRD4 P21917 3/20 0.43
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41

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
SCHEMBL6507796 0.91 HDAC1 (0.68) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL8293232 0.87 HDAC1 (0.50) HDAC1NR4A2KDM4EALDH1A1GAA
SCHEMBL6507551 0.82 HDAC1 (0.59) HDAC1NR4A2KDM4EALDH1A1POLB
SCHEMBL6508309 0.80 HDAC1 (0.84) HDAC1DRD4
SCHEMBL6510525 0.74 HDAC1 (0.72) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL8293231 0.74 HDAC1 (0.62) HDAC1KDM4EGAARAB9AKMT2A
SCHEMBL6508643 0.73 NR4A2 (0.43) HDAC1NR4A2KDM4EALDH1A1GAA
SCHEMBL6510559 0.72 HDAC1 (0.79) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL8621840 0.72 DRD4 (0.49) HDAC1KDM4EDRD4HDAC3HDAC4
SCHEMBL6507596 0.72 HDAC1 (1.00) HDAC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005066157-A1 3-(PYROLIDIN-3-L) INDOLES AS 5-HT6 RECEPTOR MODULATORS SUVEN LIFE SCIENCES (IN) 2005-07-21 WO disclosed
WO-2005014588-A1 SUBSTITUTED THIENYL-HYDROXAMIC ACIDS HAVING HISTONE DEACETYLASE ACTIVITY ARGENTA DISCOVERY LIMITED (GB) 2005-02-17 WO disclosed