SCHEMBL8784871

SCHEMBL8784871

CCCc1nc(SCCCC(=O)O)cn1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.48
SLC22A12 Q96S37 1/20 0.42
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 3/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2C19 P33261 3/20 0.35
CYP2D6 P10635 2/20 0.35
MAPT P10636 3/20 0.33
DUSP3 P51452 1/20 0.33
PTPN5 P54829 1/20 0.33
CASP6 P55212 1/20 0.33
PTPN11 Q06124 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
MAPK1 P28482 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 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
SCHEMBL8784106 0.96 EDNRA (0.47) EDNRASLC22A12KDM4EALDH1A1HPGD
SCHEMBL8784052 0.95 EDNRA (0.44) EDNRASLC22A12KDM4EALDH1A1HPGD
SCHEMBL8784864 0.84 SLC22A12 (0.42) EDNRASLC22A12KDM4EALDH1A1HPGD
SCHEMBL8784040 0.84 SLC22A12 (0.41) EDNRASLC22A12KDM4EALDH1A1HPGD
SCHEMBL8784103 0.81 SLC22A12 (0.41) EDNRASLC22A12KDM4EALDH1A1HPGD
SCHEMBL7496869 0.80 EDNRA (0.66) EDNRASLC22A12KDM4EALDH1A1HPGD
SCHEMBL8592901 0.79 EDNRA (0.70) EDNRASLC22A12KDM4EALDH1A1HPGD
SCHEMBL8785543 0.78 SLC22A12 (0.45) EDNRASLC22A12KDM4EALDH1A1HPGD
SCHEMBL7503953 0.78 EDNRA (0.53) EDNRASLC22A12KDM4EALDH1A1HPGD
SCHEMBL8046639 0.78 EDNRA (0.65) EDNRASLC22A12KDM4EALDH1A1HPGD

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
EP-0776325-A1 NOVEL USE AND NOVEL DERIVATIVES OF IMIDAZOLE, METHOD FOR PREPARING SAME, NOVEL INTERMEDIATES THUS OBTAINED, MEDICINAL APPLICATIONS OF SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME ROUSSEL UCLAF (FR) 1997-06-04 EP disclosed