SCHEMBL6508934

SCHEMBL6508934

CCC(=O)Oc1cccc(C#CCN2c3ccccc3Oc3ccccc32)c1Nc1ccccc1C(=O)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.33
MAPT P10636 2/20 0.33
PAX8 Q06710 1/20 0.33
ELANE P08246 2/20 0.33
CLCN2 P51788 2/20 0.32
P2RX4 Q99571 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
MYC P01106 1/20 0.31
ABCB1 P08183 1/20 0.30
MAPK1 P28482 1/20 0.30
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 1/20 0.30
PPARG P37231 1/20 0.30

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
SCHEMBL6509824 0.83 CYP4F2 (0.34) KMT2ACLCN2ALDH1A1MEN1MYC
SCHEMBL6533898 0.80 ALDH1A1 (0.41) KMT2AMAPTHDAC6ALDH1A1MEN1
SCHEMBL6530164 0.79 PPARG (0.34) KMT2AMAPTPAX8ELANEALDH1A1
SCHEMBL6530940 0.74 KMT2A (0.39) KMT2AMAPTALDH1A1MEN1HTT
SCHEMBL6528744 0.69 THRB (0.36) KMT2AMAPTCLCN2ALDH1A1
SCHEMBL6527238 0.67 NPSR1 (0.45) MAPTCLCN2ALDH1A1MAPK1
SCHEMBL6528870 0.66 NOTUM (0.39) KMT2AMAPTCLCN2ALDH1A1MEN1
SCHEMBL1683548 0.66 ELANE (0.62) KMT2AMAPTPAX8ELANEALDH1A1
SCHEMBL27485334 0.64 ELANE (0.55) KMT2AMAPTPAX8ELANEALDH1A1
SCHEMBL2785015 0.64 MEN1 (0.47) KMT2ACLCN2ALDH1A1MEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005056536-A1 ANTIDIABETIC AGENTS WHICH EXHIBIT ACTIVITY AGAINST PPAR RANBAXY LABORATORIES LIMITED (IN) 2005-06-23 WO disclosed