SCHEMBL903687

SCHEMBL903687

Bc1ccc2c(c1)OC(c1ccccc1)n1c-2cc2cc(Cl)ccc21

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.31
CYP19A1 P11511 1/20 0.30

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
SCHEMBL903686 1.00 ACLY (0.31) ACLYCYP19A1
SCHEMBL17429552 0.92 ACLY (0.34) ACLYCYP19A1
SCHEMBL903810 0.92
SCHEMBL17429734 0.92 ACLY (0.34) ACLYCYP19A1
SCHEMBL903815 0.89
SCHEMBL18957722 0.86 MAOB (0.40) ACLYCYP19A1
SCHEMBL903682 0.86 ACLY (0.34) ACLYCYP19A1
SCHEMBL18957720 0.86 MAOB (0.40) ACLYCYP19A1
SCHEMBL17429553 0.86 ACLY (0.34) ACLYCYP19A1
SCHEMBL903685 0.86 ACLY (0.34) ACLYCYP19A1

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
WO-2012041014-A1 TETRACYCLIC INDOLE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION MERCK SHARP & DOHME CORP. (US) 2012-04-05 WO disclosed