SCHEMBL17119901

SCHEMBL17119901

CCCCCC1(C)C(C)=[N+](CCCS(=O)(=O)O)c2ccc3ccc(S(=O)(=O)O)cc3c21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLNR O43193 1/20 0.33
NR1I2 O75469 1/20 0.33
PGR P06401 1/20 0.33
ADRB1 P08588 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
CHRM3 P20309 1/20 0.33
CNR1 P21554 1/20 0.33
DRD1 P21728 1/20 0.33
TBXA2R P21731 1/20 0.33
SLC6A2 P23975 1/20 0.33
HRH2 P25021 1/20 0.33
HTR2C P28335 1/20 0.33
BDKRB2 P30411 1/20 0.33
ADORA1 P30542 1/20 0.33
AGTR1 P30556 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL17119896 0.89 FOLH1 (0.33) MLNRNR1I2PGRADRB1ADORA3
SCHEMBL15315211 0.82 MLNR (0.41) MLNRNR1I2PGRADRB1ADORA3
SCHEMBL12146320 0.82 MEN1 (0.36) MLNRNR1I2PGRADRB1ADORA3
SCHEMBL10037957 0.81 S1PR3 (0.32) S1PR3
SCHEMBL19064231 0.80 FOLH1 (0.40) FOLH1
SCHEMBL17119898 0.80 S1PR3 (0.31) MLNRNR1I2PGRADRB1ADORA3
SCHEMBL15927005 0.80 S1PR3 (0.35) S1PR3
SCHEMBL25520341 0.78 MLNR (0.39) MLNRNR1I2PGRADRB1ADORA3
SCHEMBL137087 0.78 PTPN1 (0.30)
SCHEMBL8116380 0.77 PTPN1 (0.33)

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-20150268246-A1 LUMINESCENT COMPOUNDS SETA BIOMEDICALS, LLC 2015-09-24 US disclosed