SCHEMBL19976565

SCHEMBL19976565

CC1(C)C(/C=C/C=C/Nc2ccccc2)=[N+](CCCS(=O)(=O)O)c2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.41
MLNR O43193 1/20 0.39
NR1I2 O75469 1/20 0.39
PGR P06401 1/20 0.39
ADRB1 P08588 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CHRM1 P11229 1/20 0.39
DRD2 P14416 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
CHRM3 P20309 1/20 0.39
CNR1 P21554 1/20 0.39
DRD1 P21728 1/20 0.39
TBXA2R P21731 1/20 0.39
SLC6A2 P23975 1/20 0.39
HRH2 P25021 1/20 0.39
HTR2C P28335 1/20 0.39
BDKRB2 P30411 1/20 0.39
ADORA1 P30542 1/20 0.39
AGTR1 P30556 1/20 0.39

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
SCHEMBL135883 0.94 MLNR (0.41) FOLH1MLNRNR1I2PGRADRB1
SCHEMBL19063110 0.94 FOLH1 (0.37) FOLH1MLNRNR1I2PGRADRB1
SCHEMBL14404497 0.91 FOLH1 (0.51) FOLH1MLNRNR1I2PGRADRB1
SCHEMBL19976556 0.90 MLNR (0.38) FOLH1MLNRNR1I2PGRADRB1
SCHEMBL19052121 0.89 MLNR (0.42) FOLH1MLNRNR1I2PGRADRB1
SCHEMBL134460 0.88 MLNR (0.37) FOLH1MLNRNR1I2PGRADRB1
SCHEMBL714358 0.87 FOLH1 (0.47) FOLH1MLNRNR1I2PGRADRB1
SCHEMBL714359 0.87 FOLH1 (0.47) FOLH1MLNRNR1I2PGRADRB1
SCHEMBL19062945 0.86 FOLH1 (0.35) FOLH1MLNRNR1I2PGRADRB1
SCHEMBL13820017 0.86 FOLH1 (0.42) FOLH1MLNRNR1I2PGRADRB1

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-9920365-B2 Functionalized cyanine dyes (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2018-03-20 US disclosed