SCHEMBL8667795

SCHEMBL8667795

CC(C)c1nc(C=Cc2ccccc2)c(C(=O)O)n1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.41
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
SLC22A12 Q96S37 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
SCHEMBL8431362 0.84 EDNRA (0.55) EDNRA
SCHEMBL7506724 0.84 EDNRA (0.55) EDNRA
SCHEMBL8434773 0.80 EDNRA (0.47) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7504756 0.80 EDNRA (0.43) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL8434266 0.78 EDNRA (0.44) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL8415160 0.75 EDNRA (0.46) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7506718 0.75 SLC22A12 (0.39) KDM4EALDH1A1HPGDSLC22A12
SCHEMBL7496855 0.73 EDNRA (0.47) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL8435187 0.73 EDNRA (0.44) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7496887 0.72 EDNRA (0.46) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5811444-A IMIDAZOLE DERIVATIVES ROUSSEL UCLAF (FR) 1998-09-22 US disclosed