SCHEMBL12414949

SCHEMBL12414949

CCCCCN1/C(=C/C=C2\CCC(/C=C/C3=[N+](CCCCC)c4ccc(Br)cc4C3(C)C)=C2Sc2ccccc2I)C(C)(C)c2cc(Br)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 7/20 0.52
PRMT5 O14744 2/20 0.52
PRMT8 Q9NR22 2/20 0.52
CARM1 Q86X55 1/20 0.52
PTPN1 P18031 1/20 0.41
HTR1A P08908 1/20 0.40
FOLR1 P15328 5/20 0.37
FOLH1 Q04609 3/20 0.36
BLM P54132 1/20 0.32
MLNR O43193 1/20 0.31
NR1I2 O75469 1/20 0.31
PGR P06401 1/20 0.31
ADRB1 P08588 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD2 P14416 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
CHRM3 P20309 1/20 0.31
CNR1 P21554 1/20 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
SCHEMBL12414944 0.87 PRMT1 (0.49) PRMT1PRMT5PRMT8CARM1PTPN1
SCHEMBL12414937 0.86 PTPN1 (0.52) PRMT1PRMT5PRMT8CARM1PTPN1
SCHEMBL12414940 0.85 PRMT1 (0.46) PRMT1PRMT5PRMT8CARM1PTPN1
SCHEMBL12414953 0.85 PTPN1 (0.50) PRMT1PRMT5PRMT8CARM1PTPN1
SCHEMBL12414859 0.85 PRMT1 (0.49) PRMT1PRMT5PRMT8CARM1PTPN1
SCHEMBL12414857 0.84 PRMT1 (0.61) PRMT1PRMT5PRMT8CARM1PTPN1
SCHEMBL12414936 0.83 HTR1A (0.52) PRMT1PRMT5PRMT8CARM1PTPN1
SCHEMBL12414939 0.82 PRMT1 (0.55) PRMT1PRMT5PRMT8CARM1PTPN1
SCHEMBL12414865 0.81 PRMT1 (0.67) PRMT1PRMT5PRMT8CARM1PTPN1
SCHEMBL12414924 0.80 PTPN1 (0.46) PRMT1PRMT5PRMT8CARM1PTPN1

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
US-20110165518-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR AGFA GRAPHICS NV (BE) 2011-07-07 US disclosed