SCHEMBL6160989

SCHEMBL6160989

CCCc1nc(Sc2ccc(OCC(=O)OCC)cc2)c(C=O)n1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.46
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.34
P2RX3 P56373 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MCHR1 Q99705 1/20 0.33
AGTR1 P30556 1/20 0.33
AGTR2 P50052 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 2/20 0.33
HIF1A Q16665 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL8416889 0.85 EDNRA (0.51) EDNRAALDH1A1AGTR1AGTR2KDM4E
SCHEMBL8784081 0.82 MAPK1 (0.41) EDNRAALDH1A1MAPK1NPC1KDM4E
SCHEMBL6162876 0.81 EDNRA (0.60) EDNRAALDH1A1MAPK1MCHR1AGTR1
SCHEMBL6162886 0.79 EDNRA (0.49) EDNRAALDH1A1MAPK1NPC1RAB9A
SCHEMBL8431746 0.78 EDNRA (0.48) EDNRAALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL8431316 0.77 EDNRA (0.52) EDNRAALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL7506559 0.77 BRS3 (0.40) EDNRAALDH1A1NPC1KDM4EHPGD
SCHEMBL6588042 0.75 BRS3 (0.40) EDNRAALDH1A1NPC1KDM4EHPGD
SCHEMBL8431751 0.74 EDNRA (0.48) EDNRAALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL6159406 0.73 EDNRA (0.63) EDNRAALDH1A1AGTR1AGTR2KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0863896-B1 NOVEL IMIDAZOLE DERIVATIVES, METHOD FOR PREPARING SAME, PHARMACEUTICAL COMPOSITIONS AND USE OF SAID DERIVATIVES AS ENDOTHELIN ANTAGONISTS AVENTIS PHARMA SA (FR) 2005-02-09 EP disclosed
US-5986103-A IMIDAZOLE SUBSTITUTED BENZENE AND REDUCTION OF ABNORMAL STIMULATION OF ENDOTHELIN RECEPTORS HOECHST MARION ROUSSEL (FR) 1999-11-16 US disclosed
EP-0863896-A1 NOVEL IMIDAZOLE DERIVATIVES, METHOD FOR PREPARING SAME, RESULTING INTERMEDIATES, PHARMACEUTICAL COMPOSITIONS AND USE OF SAID DERIVATIVES AS ENDOTHELIN ANTAGONISTS HOECHST MARION ROUSSEL (FR) 1998-09-16 EP disclosed
WO-1997017340-A1 NOVEL IMIDAZOLE DERIVATIVES, METHOD FOR PREPARING SAME, RESULTING INTERMEDIATES, PHARMACEUTICAL COMPOSITIONS AND USE OF SAID DERIVATIVES AS ENDOTHELIN ANTAGONISTS HOECHST MARION ROUSSEL (FR) 1997-05-15 WO disclosed