SCHEMBL12414941

SCHEMBL12414941

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.52
FOLR1 P15328 6/20 0.45
FOLH1 Q04609 4/20 0.45
PRMT1 Q99873 4/20 0.42
PRMT5 O14744 1/20 0.42
CARM1 Q86X55 1/20 0.42
PRMT8 Q9NR22 1/20 0.42
HTR1A P08908 1/20 0.42
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
MLNR O43193 1/20 0.41
NR1I2 O75469 1/20 0.41
PGR P06401 1/20 0.41
ADRB1 P08588 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
DRD2 P14416 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
CNR1 P21554 1/20 0.41
DRD1 P21728 1/20 0.41

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
SCHEMBL18256967 0.95 PTPN1 (0.51) PTPN1FOLR1FOLH1PRMT1PRMT5
SCHEMBL12414938 0.93 PTPN1 (0.52) PTPN1FOLR1FOLH1PRMT1PRMT5
SCHEMBL12414942 0.92 PRMT1 (0.45) PTPN1FOLR1FOLH1PRMT1PRMT5
SCHEMBL12414903 0.89 PTPN1 (0.55) PTPN1FOLR1FOLH1PRMT1PRMT5
SCHEMBL12414943 0.89 HTR1A (0.52) PTPN1FOLR1FOLH1PRMT1PRMT5
SCHEMBL14169853 0.88 FOLR1 (0.53) PTPN1FOLR1FOLH1PRMT1HTR1A
SCHEMBL12414954 0.86 PTPN1 (0.53) PTPN1FOLR1FOLH1PRMT1PRMT5
SCHEMBL12414953 0.86 PTPN1 (0.50) PTPN1FOLR1FOLH1PRMT1PRMT5
SCHEMBL18894227 0.86 PTPN1 (0.57) PTPN1FOLR1FOLH1PRMT1PRMT5
SCHEMBL18894228 0.86 PTPN1 (0.57) PTPN1FOLR1FOLH1PRMT1PRMT5

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