SCHEMBL12414875

SCHEMBL12414875

CCCCC[N+]1=C(/C=C/C2=C(Cl)/C(=C/C=C3/N(CCCCS(=O)(=O)O)c4ccc(Br)cc4C3(C)C)CC2)C(C)(C)c2cc(Br)ccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 5/20 0.57
PRMT5 O14744 1/20 0.57
CARM1 Q86X55 1/20 0.57
PRMT8 Q9NR22 1/20 0.57
PTPN1 P18031 1/20 0.56
CHRM1 P11229 2/20 0.42
CHRM3 P20309 2/20 0.42
MLNR O43193 1/20 0.42
NR1I2 O75469 1/20 0.42
PGR P06401 1/20 0.42
ADRB1 P08588 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
DRD2 P14416 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
CNR1 P21554 1/20 0.42
DRD1 P21728 1/20 0.42
TBXA2R P21731 1/20 0.42
SLC6A2 P23975 1/20 0.42
HRH2 P25021 1/20 0.42

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
SCHEMBL12414901 0.97 PRMT1 (0.56) PRMT1PRMT5CARM1PRMT8PTPN1
SCHEMBL12414857 0.94 PRMT1 (0.61) PRMT1PRMT5CARM1PRMT8PTPN1
SCHEMBL12414876 0.92 PTPN1 (0.56) PRMT1PRMT5CARM1PRMT8PTPN1
SCHEMBL12414865 0.90 PRMT1 (0.67) PRMT1PRMT5CARM1PRMT8PTPN1
SCHEMBL18256957 0.90 PTPN1 (0.54) PRMT1PRMT5CARM1PRMT8PTPN1
SCHEMBL24610056 0.90 PTPN1 (0.59) PRMT1PRMT5CARM1PRMT8PTPN1
SCHEMBL12414951 0.89 PTPN1 (0.53) PRMT1PRMT5CARM1PRMT8PTPN1
SCHEMBL24699840 0.89 PTPN1 (0.58) PRMT1PRMT5CARM1PRMT8PTPN1
SCHEMBL12414903 0.89 PTPN1 (0.55) PRMT1PRMT5CARM1PRMT8PTPN1
SCHEMBL15026323 0.89 PTPN1 (0.51) PRMT1PRMT5CARM1PRMT8PTPN1

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