SCHEMBL10651065

SCHEMBL10651065

O=C(O)c1ccccc1CCn1ccnc1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.57
TBXAS1 P24557 11/20 0.52
EGLN3 Q9H6Z9 1/20 0.49
FOLH1 Q04609 1/20 0.49

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
SCHEMBL28416685 0.85 CYP19A1 (0.76) CYP19A1TBXAS1
SCHEMBL10656868 0.82 EGLN3 (0.61) CYP19A1TBXAS1EGLN3
SCHEMBL15179017 0.82 CYP19A1 (0.64) CYP19A1TBXAS1
SCHEMBL11616192 0.81 FOLH1 (0.58) FOLH1
SCHEMBL9414537 0.78 CYP19A1 (0.56) CYP19A1TBXAS1
SCHEMBL27824075 0.77 CYP19A1 (0.65) CYP19A1TBXAS1
SCHEMBL8580210 0.76 TBXAS1 (0.79) TBXAS1
SCHEMBL11607374 0.75 ALDH1A1 (0.57) CYP19A1TBXAS1
SCHEMBL6992090 0.75 CYP11B1 (0.71) CYP19A1TBXAS1
SCHEMBL15173640 0.75 CYP19A1 (0.56) CYP19A1TBXAS1

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-0124186-B1 IMIDAZOLE-ETHANOL ESTERS GIST-BROCADES N.V. (NL) 1988-09-21 EP claimed