SCHEMBL2806313

SCHEMBL2806313

C1=CC2=Cc3ncccc3CC2=C1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31

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
SCHEMBL9729307 0.73 CYP11B1 (0.31) CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL11172754 0.72 CYP11B1 (0.30) CYP11B1CYP11B2
SCHEMBL395757 0.72 CYP11B2 (0.41) CYP11B1CYP11B2
SCHEMBL29463838 0.72 CYP11B2 (0.41) CYP11B1CYP11B2
SCHEMBL30835519 0.70 PTGS2 (0.40) CYP11B1CYP11B2
SCHEMBL7095208 0.70 CYP11B1 (0.47) CYP11B1CYP11B2
SCHEMBL27464065 0.70 CYP11B1 (0.31) CYP11B1CYP11B2
SCHEMBL13859949 0.69 TSHR (0.35)
SCHEMBL7090626 0.69 CYP11B1 (0.36) CYP11B1CYP11B2
Bromide SCHEMBL9823692 0.69 CYP11B1 (0.30) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1421105-B1 ANTI-CANCER CYCLOPENTA¬G QUINAZOLINE COMPOUNDS BTG INT LTD (GB) 2010-10-06 EP disclosed