SCHEMBL8434266

SCHEMBL8434266

CC(C)c1nc(Sc2ccccc2C(=O)O)c(C(=O)O)n1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.44
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL8434773 0.89 EDNRA (0.47) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL8415160 0.84 EDNRA (0.46) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL8435187 0.82 EDNRA (0.44) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL795038 0.80 EDNRA (0.46) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7496855 0.79 EDNRA (0.47) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7504756 0.78 EDNRA (0.43) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL8667795 0.78 EDNRA (0.41) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7496887 0.77 EDNRA (0.46) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL8329175 0.77 EDNRA (0.44) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL8043928 0.76 EDNRA (0.51) 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