SCHEMBL747130

SCHEMBL747130

CC(C)(C)c1ccc(CN(CCc2ccc(Br)cc2)C(=O)c2cccc3c2NCCC3)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC13A5 Q86YT5 1/20 0.37
KMT2A Q03164 3/20 0.37
ESRRG P62508 2/20 0.36
HDAC6 Q9UBN7 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
RCE1 Q9Y256 1/20 0.33
MEN1 O00255 2/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 2/20 0.32
MAPT P10636 1/20 0.32
C5AR1 P21730 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
SLC2A1 P11166 1/20 0.32
HDAC1 Q13547 1/20 0.32
LPAR1 Q92633 1/20 0.32
LPAR5 Q9H1C0 1/20 0.32

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
SCHEMBL745473 0.93 KMT2A (0.44) SLC13A5KMT2AESRRGRCE1MEN1
SCHEMBL748461 0.92 ESRRG (0.46) SLC13A5KMT2AESRRGHDAC6RCE1
SCHEMBL747114 0.91 C5AR1 (0.41) SLC13A5KMT2AESRRGRCE1MEN1
SCHEMBL746610 0.91 TP53 (0.42) SLC13A5KMT2AESRRGRCE1MEN1
SCHEMBL748509 0.89 LPAR1 (0.43) SLC13A5KMT2AESRRGMEN1LMNA
SCHEMBL748533 0.89 ESRRG (0.37) SLC13A5KMT2AESRRGLMNATP53
SCHEMBL749104 0.87 SLC13A5 (0.35) SLC13A5KMT2AESRRGMEN1TP53
SCHEMBL748780 0.87 TP53 (0.35) SLC13A5KMT2AESRRGMEN1CRHBP
SCHEMBL747162 0.87 TACR1 (0.37) SLC13A5KMT2AHDAC6HDAC8TP53
SCHEMBL748523 0.87 LPAR1 (0.38) SLC13A5KMT2ACRHBPCRHR2C5AR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049493-B1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LTD (IN) 2012-03-21 EP claimed
US-8022217-B2 Compounds suitable as modulators of HDL CADILA HEALTHCARE LIMITED (IN) 2011-09-20 US claimed
EP-2049493-B1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LTD (IN) 2012-03-21 EP disclosed
US-8022217-B2 Compounds suitable as modulators of HDL CADILA HEALTHCARE LIMITED (IN) 2011-09-20 US disclosed