SCHEMBL15095693

SCHEMBL15095693

CC1=[N+](CCCCS(=O)(=O)O)c2ccc3c(S(=O)(=O)O)cc(S(=O)(=O)O)cc3c2C1(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.45
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

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
SCHEMBL15095683 0.97 FOLH1 (0.44) FOLH1MLNRNR1I2PGRADRB1
SCHEMBL19895035 0.96 FOLH1 (0.43) FOLH1
SCHEMBL136522 0.89 FOLH1 (0.41) FOLH1MLNRNR1I2PGRADRB1
SCHEMBL14299278 0.87 FOLH1 (0.36) FOLH1MLNRNR1I2PGRADRB1
SCHEMBL10077596 0.86 FOLH1 (0.51) FOLH1TBXA2RHDAC3HDAC4HDAC1
SCHEMBL29331394 0.86 FOLH1 (0.40) FOLH1
SCHEMBL19064231 0.86 FOLH1 (0.40) FOLH1
SCHEMBL10111349 0.86 FOLH1 (0.39) FOLH1
SCHEMBL16252460 0.86 FOLH1 (0.37) FOLH1
SCHEMBL8951624 0.85 SUMO2 (0.36) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2630196-B1 CYANINE DYES AND THEIR CONJUGATES LI COR INC (US) 2017-09-06 EP disclosed
US-8481752-B2 Fluorescent imaging with substituted cyanine dyes LI-COR, INC. (US) 2013-07-09 US disclosed