SCHEMBL6577534

SCHEMBL6577534

COc1ccc(Sc2nc(C(O)c3ccccc3)n(Cc3cc4c(cc3Cl)OCO4)c2C=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.36
BRS3 P32247 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
USP2 O75604 1/20 0.34
ALPG P10696 1/20 0.34
TP53 P04637 1/20 0.34
HTR1A P08908 1/20 0.34
CNR1 P21554 1/20 0.34
HTR7 P34969 1/20 0.34
HTR6 P50406 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL8432517 0.89 EDNRA (0.42) EDNRATP53
SCHEMBL8431530 0.87 EDNRA (0.37) EDNRABRS3KMT2AHPGDSMN1; SMN2
SCHEMBL6581992 0.85 MEN1 (0.42) EDNRABRS3KMT2AMEN1HPGD
SCHEMBL6588042 0.83 BRS3 (0.40) EDNRABRS3KMT2AMEN1HPGD
SCHEMBL7506559 0.83 BRS3 (0.40) EDNRABRS3KMT2AMEN1HPGD
SCHEMBL6580569 0.80 MEN1 (0.39) EDNRAKMT2AMEN1HPGDHTT
SCHEMBL8435187 0.79 EDNRA (0.44) EDNRABRS3HPGDSMN1; SMN2KDM4E
SCHEMBL7501755 0.78 EDNRA (0.44) EDNRABRS3HPGDSMN1; SMN2KDM4E
SCHEMBL6580054 0.77 BRS3 (0.39) EDNRABRS3HPGDSMN1; SMN2KDM4E
SCHEMBL6580198 0.77 EDNRA (0.44) EDNRAHPGDSMN1; SMN2KDM4EALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0804435-B1 NOVEL IMIDAZOLE DERIVATIVES, METHOD FOR PREPARING SAME, NOVEL INTERMEDIATES THUS OBTAINED, MEDICINAL APPLICATIONS OF SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2004-03-10 EP disclosed
US-5932741-A TREATING ILLNESSES RESULTING FROM ABNORMAL STIMULATION OF ENDOTHELIN RECEPTORS HOECHST MARION ROUSSEL (FR) 1999-08-03 US disclosed
US-5856509-A HYPOTENSIVE AGENTS ROUSSEL UCLAF (FR) 1999-01-05 US disclosed
US-5811444-A IMIDAZOLE DERIVATIVES ROUSSEL UCLAF (FR) 1998-09-22 US disclosed
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
WO-1996004276-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) 1996-02-15 WO disclosed