SCHEMBL6848788

SCHEMBL6848788

COc1nc(-c2ccc(C)cc2)n(-c2ccc(NC(=O)/C=C/c3ccccc3)cc2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 5/20 0.59
MMP2 P08253 5/20 0.59
MMP9 P14780 5/20 0.59
EGFR P00533 3/20 0.59
MAPT P10636 3/20 0.52
TP53 P04637 1/20 0.52
THRB P10828 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HDAC1 Q13547 4/20 0.52
HDAC2 Q92769 4/20 0.52
MALT1 Q9UDY8 3/20 0.51
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
PTGS1 P23219 2/20 0.47
PTGS2 P35354 2/20 0.47
HTT P42858 1/20 0.47

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
N-P-Tolylcinnamamide SCHEMBL1603280 0.77 MMP1 (1.00) MMP1MMP2MMP9EGFRMAPT
N-P-Tolylcinnamamide SCHEMBL4137542 0.77 MMP1 (1.00) MMP1MMP2MMP9EGFRMAPT
SCHEMBL11301842 0.73 MMP1 (0.91) MMP1MMP2MMP9EGFRMAPT
SCHEMBL26120769 0.72 MMP1 (0.88) MMP1MMP2MMP9EGFRMAPT
SCHEMBL13783551 0.71 EGFR (0.54) MMP1MMP2MMP9EGFRHDAC1
N-(4-Methoxyphenyl)Cinnamamide SCHEMBL4131114 0.71 MMP1 (1.00) MMP1MMP2MMP9EGFRMAPT
N-(4-Methoxyphenyl)Cinnamamide SCHEMBL9094893 0.71 MMP1 (1.00) MMP1MMP2MMP9EGFRMAPT
N-(4-Methoxyphenyl)Cinnamamide SCHEMBL4131112 0.71 MMP1 (1.00) MMP1MMP2MMP9EGFRMAPT
SCHEMBL24747889 0.70 PTGS1 (0.69) MAPTSMN1; SMN2MALT1NPC1RAB9A
SCHEMBL13425358 0.70 MMP1 (0.87) MMP1MMP2MMP9EGFRMAPT

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-2011020849-A1 CYTOHESIN INHIBITORS RHEINISCHE FRIEDRICH-WILHELMS UNIVERSITÄT (DE) 2011-02-24 WO disclosed
EP-2286808-A1 Cytohesin inhibitors Rheinische Friedrich-Wilhelms Universität (DE) 2011-02-23 EP disclosed