SCHEMBL8435770

SCHEMBL8435770

CCCCc1nc(SC2CCCCC2)c(C(=O)OCC)n1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.60
MAPT P10636 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AGTR1 P30556 1/20 0.35
AGTR2 P50052 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RAB9A P51151 1/20 0.33
CYP19A1 P11511 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
SCHEMBL7497895 0.90 EDNRA (0.73) EDNRAALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL8044320 0.85 EDNRA (0.74) EDNRAMAPTSIRT2ALDH1A1KDM4E
SCHEMBL7501806 0.85 EDNRA (0.57) EDNRAALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL8046901 0.84 EDNRA (0.61) EDNRASIRT2ALDH1A1KDM4EHPGD
SCHEMBL8432501 0.84 EDNRA (0.49) EDNRAMAPTSIRT2ALDH1A1KDM4E
SCHEMBL8046894 0.82 EDNRA (0.57) EDNRAMAPTSIRT2ALDH1A1KDM4E
SCHEMBL8052404 0.81 EDNRA (0.46) EDNRAMAPTSIRT2ALDH1A1KDM4E
SCHEMBL8435078 0.80 EDNRA (0.47) EDNRASMN1; SMN2AGTR1AGTR2
SCHEMBL3835410 0.79 EDNRA (0.84) EDNRAALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL8433194 0.79 EDNRA (0.52) EDNRAALDH1A1KDM4EHPGDSMN1; 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