SCHEMBL8700864

SCHEMBL8700864

N#Cc1ccc(C(c2cncnc2)c2ccco2)cc1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 14/20 0.69
CYP11B2 P19099 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP11B1 P15538 1/20 0.37
TSHR P16473 1/20 0.37
MYC P01106 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.33
CYP1A2 P05177 1/20 0.32

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
SCHEMBL2355389 0.82 CYP19A1 (1.00) CYP19A1CYP11B2CYP3A4CYP2C19CYP11B1
SCHEMBL8696779 0.81 SLC6A2 (0.44) CYP19A1CYP11B2CYP2C19CYP11B1
SCHEMBL8701933 0.80 CYP19A1 (0.43) CYP19A1TSHRLMNAHTT
SCHEMBL8700549 0.80 CYP19A1 (0.66) CYP19A1CYP3A4CYP2C19TSHRCYP1A2
SCHEMBL8703089 0.80 CYP19A1 (0.43) CYP19A1CYP11B2CYP2C19CYP11B1LMNA
SCHEMBL2354748 0.75 CYP19A1 (0.83) CYP19A1CYP11B2CYP3A4CYP2C19CYP11B1
SCHEMBL8697788 0.74 CYP19A1 (0.60) CYP19A1CYP2C19CYP1A2
SCHEMBL8746248 0.71 CYP19A1 (0.56) CYP19A1CYP11B2CYP3A4CYP2C19CYP11B1
SCHEMBL8700875 0.70 CYP19A1 (0.72) CYP19A1CYP11B2CYP3A4CYP2C19CYP11B1
SCHEMBL9790964 0.68 CYP19A1 (1.00) CYP19A1CYP11B2CYP3A4CYP11B1

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-1998018791-A1 HETEROCYCLIC FURAN COMPOUNDS, THEIR PREPARATION AND USE AS AROMATASE INHIBITORS A. MENARINI INDUSTRIE FARMACEUTICHE RIUNITE S.R.L. (IT) 1998-05-07 WO disclosed