SCHEMBL8433819

SCHEMBL8433819

COc1ccc(CSc2nc(C)n(Cc3cc4c(cc3Cl)OCO4)c2C=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 3/20 0.43
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
AURKA O14965 1/20 0.40
CSNK1E P49674 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
DCTPP1 Q9H773 2/20 0.39
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
EDNRA P25101 1/20 0.36
TSHR P16473 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
SCHEMBL8785847 0.91 BRS3 (0.42) BRS3MAPTMEN1KMT2ANPSR1
SCHEMBL6580022 0.91 BRS3 (0.43) BRS3MAPTMEN1KMT2ANPSR1
SCHEMBL6580124 0.89 MEN1 (0.41) BRS3MAPTMEN1KMT2ANPSR1
SCHEMBL7506559 0.87 BRS3 (0.40) BRS3MAPTMEN1KMT2ANPSR1
SCHEMBL6580054 0.86 BRS3 (0.39) BRS3AURKACSNK1EGSK3AGSK3B
SCHEMBL8434873 0.86 EDNRA (0.45) BRS3MAPTMEN1KMT2ANPSR1
SCHEMBL8431736 0.84 BRS3 (0.42) BRS3MAPTMEN1KMT2ANPSR1
SCHEMBL6580573 0.83 BRS3 (0.42) BRS3MAPTMEN1KMT2ANPSR1
SCHEMBL3839001 0.82 EDNRA (0.45) BRS3AURKACSNK1EGSK3AGSK3B
SCHEMBL8785853 0.82 AURKA (0.38) BRS3MAPTMEN1KMT2ANPSR1

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 3 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
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