SCHEMBL9876046

SCHEMBL9876046

OC(Cn1cncn1)c1ccon1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
CYP19A1 P11511 5/20 0.36
HSP90AA1 P07900 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
BRD4 O60885 1/20 0.33

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
SCHEMBL9875571 0.74 POLB (0.37) POLBHPGDCYP19A1MEN1ALDH1A1
SCHEMBL7783933 0.71 TSHR (0.58) POLBHPGDCYP19A1HSP90AA1MEN1
SCHEMBL9876051 0.71 CYP19A1 (0.40) CYP19A1HSP90AA1MEN1KMT2A
SCHEMBL13733235 0.69 CYP19A1 (0.49) CYP19A1HSP90AA1HDAC1HDAC6ALDH1A1
SCHEMBL5652006 0.69
SCHEMBL5652011 0.69
SCHEMBL11188697 0.69 HMOX1 (0.51) POLBHPGDCYP19A1HDAC1HDAC6
SCHEMBL9634892 0.69 CYP19A1 (0.50) POLBHPGDCYP19A1MEN1ALDH1A1
SCHEMBL11273790 0.69 CYP19A1 (0.59) POLBHPGDCYP19A1HSP90AA1KMT2A
SCHEMBL6898380 0.68

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-0241232-B1 ISOXAZOLYLETHANOL DERIVATIVES SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1991-02-27 EP claimed