SCHEMBL12414923

SCHEMBL12414923

CCCCC[N+]1=C(/C=C/C2=C(Sc3nnnn3-c3ccccc3)/C(=C/C=C3/N(CCCCS(=O)(=O)O)c4ccc(Br)cc4C3(C)C)CCC2)C(C)(C)c2cc(Br)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLR1 P15328 6/20 0.47
PTPN1 P18031 1/20 0.46
PRMT1 Q99873 3/20 0.45
PRMT5 O14744 1/20 0.45
CARM1 Q86X55 1/20 0.45
PRMT8 Q9NR22 1/20 0.45
HTR1A P08908 1/20 0.45
FOLH1 Q04609 4/20 0.40
HRH2 P25021 3/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
MLNR O43193 1/20 0.36
NR1I2 O75469 1/20 0.36
PGR P06401 1/20 0.36
ADRB1 P08588 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
DRD2 P14416 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
CNR1 P21554 1/20 0.36

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
SCHEMBL12414924 0.97 PTPN1 (0.46) FOLR1PTPN1PRMT1PRMT5CARM1
SCHEMBL12414931 0.94 FOLR1 (0.47) FOLR1PTPN1PRMT1PRMT5CARM1
SCHEMBL12414859 0.92 PRMT1 (0.49) FOLR1PTPN1PRMT1PRMT5CARM1
SCHEMBL12414927 0.91 PTPN1 (0.46) FOLR1PTPN1PRMT1PRMT5CARM1
SCHEMBL12414936 0.89 HTR1A (0.52) FOLR1PTPN1PRMT1PRMT5CARM1
SCHEMBL12414860 0.89 MLNR (0.47) FOLR1PTPN1PRMT1PRMT5CARM1
SCHEMBL12414930 0.88 FOLR1 (0.41) FOLR1PTPN1PRMT1PRMT5CARM1
SCHEMBL12414937 0.87 PTPN1 (0.52) FOLR1PTPN1PRMT1PRMT5CARM1
SCHEMBL12414921 0.86 MLNR (0.47) FOLR1PTPN1PRMT1PRMT5CARM1
SCHEMBL12414856 0.85 PRMT1 (0.41) FOLR1PTPN1PRMT1PRMT5CARM1

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