SCHEMBL16844833

SCHEMBL16844833

CC/C(C)=C(\C=C1\C=C(C)C=CN1)c1cc2ccc(N3CCCNCC3)cc2oc1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 1/20 0.38
MIF P14174 2/20 0.32
PFKFB3 Q16875 1/20 0.32
MAOB P27338 3/20 0.31
APP P05067 1/20 0.31
MAOA P21397 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CA12 O43570 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CA2 P00918 1/20 0.31
GLA P06280 1/20 0.31
CA3 P07451 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CDK4 P11802 3/20 0.31

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
SCHEMBL18493219 0.67 MIF (0.65) SLC16A3MIFPFKFB3MAOBMAOA
SCHEMBL16674791 0.66 SLC16A3 (0.58) SLC16A3MIFMAOBAPPMAOA
SCHEMBL16312153 0.66 SLC16A3 (0.63) SLC16A3MIFMAOBMAOAKDM4E
SCHEMBL16674787 0.65 SLC16A3 (0.62) SLC16A3MIFMAOBMAOAKDM4E
SCHEMBL10434168 0.63 SLC16A3 (0.66) SLC16A3MIFMAOBAPPMAOA
SCHEMBL21301331 0.63 SLC16A3 (0.38) SLC16A3MIFPFKFB3MAOBAPP
SCHEMBL16674796 0.63 SLC16A3 (0.56) SLC16A3MIFMAOBAPPMAOA
SCHEMBL28868214 0.63 ALDH1A1 (0.54) SLC16A3MIFPFKFB3MAOBKDM4E
SCHEMBL15138692 0.62 SLC16A3 (0.81) SLC16A3MAOBMAOAKDM4ECA12
SCHEMBL15069455 0.62 MIF (0.56) SLC16A3MIFKDM4EALDH1A1GLA

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-2015095449-A1 METHODS FOR MODULATING THE AMOUNT RNA TRANSCRIPTS PTC THERAPEUTICS, INC. (US) 2015-06-25 WO disclosed