SCHEMBL8696281

SCHEMBL8696281

c1ccc(C(c2cc3ccccc3o2)n2cnnc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 12/20 0.56
CYP26A1 O43174 3/20 0.53
CYP24A1 Q07973 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL8696639 0.88 CYP19A1 (0.73) CYP19A1CYP26A1CYP24A1
SCHEMBL8696295 0.88 CYP19A1 (0.65) CYP19A1CYP26A1ALDH1A1NPC1RAB9A
SCHEMBL8698220 0.88 CYP19A1 (0.69) CYP19A1CYP26A1CYP24A1NPC1
SCHEMBL8697493 0.85 CYP19A1 (0.67) CYP19A1CYP26A1
SCHEMBL10362274 0.82 CYP19A1 (0.81) CYP19A1CYP26A1CYP24A1ALDH1A1
Hydrochloric Acid SCHEMBL10362740 0.81 CYP19A1 (0.79) CYP19A1CYP26A1CYP24A1ALDH1A1
SCHEMBL1906425 0.77 CYP19A1 (0.62) CYP19A1CYP26A1CYP24A1ALDH1A1LMNA
SCHEMBL8700567 0.77 CYP26A1 (0.85) CYP19A1CYP26A1
SCHEMBL8701925 0.76 CYP19A1 (0.52) CYP19A1CYP26A1CYP24A1NPC1RAB9A
SCHEMBL10362201 0.76 CYP19A1 (0.78) CYP19A1CYP26A1ALDH1A1

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