SCHEMBL749589

SCHEMBL749589

CC(C)(C)c1ccc(CN(Cc2ccc(F)cc2)C(=O)c2cccc3c2NCCC3)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
TP53 P04637 2/20 0.48
SLC13A5 Q86YT5 1/20 0.36
SRC P12931 1/20 0.36
PKM P14618 1/20 0.36
PTGER2 P43116 2/20 0.35
SSTR4 P31391 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
PTGES O14684 1/20 0.34
ALOX5 P09917 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
SCN9A Q15858 1/20 0.33

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
SCHEMBL746610 0.93 TP53 (0.42) MAPTTP53SLC13A5SRCPKM
SCHEMBL747640 0.93 TP53 (0.41) MAPTTP53SLC13A5NR1H4
SCHEMBL748532 0.87 RIPK1 (0.37) MAPTTP53PTGER2NR1H4PTGES
SCHEMBL745473 0.85 KMT2A (0.44) MAPTSLC13A5MEN1KMT2ANR1H4
SCHEMBL748554 0.85 LPAR1 (0.36) MAPTTP53SLC13A5PTGER2KMT2A
SCHEMBL748780 0.85 TP53 (0.35) MAPTTP53SLC13A5MEN1KMT2A
SCHEMBL748461 0.85 ESRRG (0.46) MAPTTP53SLC13A5PKMMEN1
SCHEMBL747101 0.85 F2 (0.39) MAPTTP53SLC13A5SRCPKM
SCHEMBL749665 0.84 MAPT (0.42) MAPTTP53SLC13A5SRCPTGER2
SCHEMBL747130 0.84 SLC13A5 (0.37) MAPTTP53SLC13A5MEN1KMT2A

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