SCHEMBL16612252

SCHEMBL16612252

O=C1CCC(Cc2ccncc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 18/20 0.56
CYP11B2 P19099 1/20 0.42
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL1000330 0.83 CYP19A1 (0.61) CYP19A1CYP11B2
SCHEMBL5675291 0.80 GBA1 (0.57)
SCHEMBL8293176 0.79 CYP19A1 (0.57) CYP19A1CYP11B2
SCHEMBL4864390 0.79 CYP19A1 (0.57) CYP19A1CYP11B2
SCHEMBL8910496 0.78 CYP19A1 (0.55) CYP19A1CYP11B2
SCHEMBL5846563 0.77 EPHX2 (0.42)
SCHEMBL4364820 0.77 ESR2 (0.53) CYP19A1
SCHEMBL8008639 0.77 OPRM1 (0.42) LMNA
SCHEMBL6785682 0.77 ALDH1A1 (0.50) LMNA
Bicarbonate SCHEMBL2854194 0.76 GBA1 (0.52) LMNAGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2857388-A1 Azoles containing sulfone Grünenthal GmbH (DE) 2015-04-08 EP disclosed
EP-2857388-A1 Azoles containing sulfone Grünenthal GmbH (DE) 2015-04-08 EP disclosed