SCHEMBL7979130

SCHEMBL7979130

COc1ccccc1Oc1c(N)nc(N2CCSCC2)nc1OCC1CCCO1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.39
EDNRB P24530 6/20 0.38
EDNRA P25101 6/20 0.38
ALDH1A1 P00352 4/20 0.38
DHPS P49366 4/20 0.38
MAPT P10636 1/20 0.38
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 3/20 0.36
GLA P06280 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
SLC22A1 O15245 1/20 0.36
ABCC4 O15439 1/20 0.36
LMNA P02545 1/20 0.36
ADRA2A P08913 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL7979128 0.90 MAPT (0.41) GPR84EDNRBEDNRAALDH1A1MAPT
SCHEMBL7979433 0.82 EDNRB (0.38) GPR84EDNRBEDNRAALDH1A1DHPS
SCHEMBL7997005 0.80 EDNRA (0.52) EDNRADHPS
SCHEMBL7997022 0.79 MAPT (0.41) GPR84EDNRBEDNRAALDH1A1MAPT
SCHEMBL7996807 0.78 DHPS (0.53) EDNRBEDNRADHPS
SCHEMBL7993990 0.76 RAB9A (0.44) EDNRBEDNRAALDH1A1MAPTPOLB
SCHEMBL7979093 0.76 ALDH1A1 (0.47) GPR84EDNRBEDNRAALDH1A1DHPS
SCHEMBL7991615 0.75 GPR84 (0.42) GPR84EDNRBEDNRAALDH1A1DHPS
SCHEMBL7997150 0.74 GPR84 (0.42) GPR84EDNRBEDNRAALDH1A1DHPS
SCHEMBL7993553 0.73 DHPS (0.50) EDNRBEDNRADHPSPOLB

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
WO-2001081338-A1 SUBSTITUTED SULFONYLAMINOPYRIMIDINES ACTELION PHARMACEUTICALS LTD (CH) 2001-11-01 WO disclosed