SCHEMBL9844130

SCHEMBL9844130

Brc1ccc2occ(Cn3ccnc3)c2c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.57
CYP11B2 P19099 8/20 0.57
CYP19A1 P11511 8/20 0.55
ADRA2C P18825 1/20 0.49
TBXAS1 P24557 2/20 0.48
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CYP17A1 P05093 1/20 0.44
POLB P06746 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42

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
Hydrochloric Acid SCHEMBL9844056 0.99 CYP11B1 (0.56) CYP11B1CYP11B2CYP19A1ADRA2CTBXAS1
Hydrochloric Acid SCHEMBL9843934 0.80 CYP11B1 (0.53) CYP11B1CYP11B2CYP19A1TBXAS1CYP17A1
SCHEMBL9843977 0.76 CYP11B1 (0.57) CYP11B1CYP11B2CYP19A1ADRA2CTBXAS1
Hydrochloric Acid SCHEMBL9688409 0.75 CYP19A1 (0.54) CYP11B1CYP11B2CYP19A1ADRA2CTBXAS1
Hydrochloric Acid SCHEMBL9844241 0.75 CYP11B1 (0.56) CYP11B1CYP11B2CYP19A1ADRA2CTBXAS1
SCHEMBL11493719 0.73 TBXAS1 (0.72) CYP11B1CYP11B2CYP19A1ADRA2CTBXAS1
SCHEMBL10853070 0.73 CYP19A1 (0.72) CYP11B1CYP11B2CYP19A1ADRA2CTBXAS1
SCHEMBL23218591 0.73 CYP11B1 (0.45) CYP11B1CYP11B2CYP19A1ADRA2CTBXAS1
SCHEMBL2798439 0.73 CYP11B1 (0.62) CYP11B1CYP11B2CYP19A1ADRA2CTBXAS1
SCHEMBL10860244 0.72 CYP19A1 (0.54) CYP11B1CYP11B2CYP19A1ADRA2CTBXAS1

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-0445073-A1 Benzofurans CIBA-GEIGY AG (CH) 1991-09-04 EP disclosed