SCHEMBL8098848

SCHEMBL8098848

O=c1cc(Cn2cncc2Oc2ccc(Br)cc2)ccn1-c1cncc(Cl)n1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.33
CYP11B1 P15538 3/20 0.33
CYP11B2 P19099 3/20 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
SCHEMBL8108412 0.73 KDM4E (0.34)
SCHEMBL8151367 0.73 CYP11B1 (0.44) IDO1CYP11B1CYP11B2
SCHEMBL8108625 0.71 CYP11B1 (0.47) CYP11B1CYP11B2
SCHEMBL5891369 0.68 CYP11B1 (0.61) IDO1CYP11B1CYP11B2
SCHEMBL8108275 0.68 FNTA (0.40) CYP11B1CYP11B2
SCHEMBL8173796 0.67 CYP11B1 (0.61) IDO1CYP11B1CYP11B2
SCHEMBL8523838 0.66 CA12 (0.35) IDO1CYP11B1CYP11B2
SCHEMBL8523840 0.64 MAPT (0.36) IDO1CYP11B1CYP11B2
SCHEMBL8148724 0.62 CYP11B1 (0.39) IDO1CYP11B1CYP11B2
SCHEMBL8098833 0.61 FNTA (0.48) CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6093737-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 2000-07-25 US disclosed
EP-1003374-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-05-31 EP disclosed
EP-1003374-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2000-05-31 EP disclosed
WO-1998028980-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1998-07-09 WO disclosed