SCHEMBL9850547

SCHEMBL9850547

CCCc1ccc(C(=O)C(C)Cn2ccnc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 6/20 0.49
CYP19A1 P11511 3/20 0.46

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
SCHEMBL9850662 0.90 CHRM2 (0.54) TBXAS1CYP19A1
SCHEMBL9850618 0.84 CHRM2 (0.52) TBXAS1CYP19A1
SCHEMBL9850632 0.83 LMNA (0.51) CYP19A1
SCHEMBL9850630 0.82 CYP19A1 (0.52) TBXAS1CYP19A1
SCHEMBL9850426 0.81 CYP26A1 (0.61) CYP19A1
SCHEMBL11144915 0.81 CYP19A1 (0.60) TBXAS1CYP19A1
SCHEMBL9850574 0.81 SMN1; SMN2 (0.47) CYP19A1
SCHEMBL9850634 0.78 L3MBTL1 (0.44) TBXAS1CYP19A1
SCHEMBL11149385 0.78 CYP19A1 (0.53) TBXAS1CYP19A1
SCHEMBL11156488 0.77 CYP19A1 (0.53) TBXAS1CYP19A1

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-0423524-A2 Propiophenone derivatives and their preparation and pharmaceutical use MARUHO Co., Ltd. (JP) 1991-04-24 EP disclosed