SCHEMBL8434241

SCHEMBL8434241

CCCc1nc(CSc2ccc(OC)c(OC)c2)c(C(=O)O)n1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 9/20 0.53
EDNRB P24530 8/20 0.44
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.37
AGTR1 P30556 1/20 0.36
AGTR2 P50052 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
SCHEMBL7498870 0.88 EDNRA (0.59) EDNRAEDNRBKDM4EALDH1A1HPGD
SCHEMBL8433209 0.87 EDNRA (0.54) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7502689 0.85 EDNRA (0.54) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL8431142 0.82 EDNRA (0.61) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7507367 0.80 EDNRA (0.48) EDNRAEDNRBKDM4EALDH1A1HPGD
SCHEMBL8431737 0.79 EDNRA (0.48) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7504056 0.79 EDNRA (0.57) EDNRAEDNRBAGTR1AGTR2
SCHEMBL7503051 0.77 EDNRA (0.45) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL8434286 0.77 EDNRA (0.64) EDNRAEDNRBKDM4EALDH1A1HPGD
SCHEMBL7498348 0.77 EDNRA (0.63) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2

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
US-5932741-A TREATING ILLNESSES RESULTING FROM ABNORMAL STIMULATION OF ENDOTHELIN RECEPTORS HOECHST MARION ROUSSEL (FR) 1999-08-03 US disclosed
US-5811444-A IMIDAZOLE DERIVATIVES ROUSSEL UCLAF (FR) 1998-09-22 US disclosed